CID 3064681

Cyclopropanecarboxylic acid, 2-((dimethylamino)methyl)-1-phenyl-, ethyl ester, hydrochloride, trans-

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCOC(=O)[C@@]1(C[C@H]1CN(C)C)C2=CC=CC=C2
InChI
InChI=1S/C15H21NO2/c1-4-18-14(17)15(10-13(15)11-16(2)3)12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3/t13-,15-/m0/s1
InChIKey
QKRSXNKJLFBCJR-ZFWWWQNUSA-N
Compound name
trans-ethyl (1R,2R)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 157.0
[M+Na]+ 270.146448 164.8
[M-H]- 246.149954 165.8
[M+NH4]+ 265.191053 172.0
[M+K]+ 286.120388 163.6
[M+H-H2O]+ 230.154490 150.6
[M+HCOO]- 292.155431 181.0
[M+CH3COO]- 306.171081 202.6
[M+Na-2H]- 268.131896 161.4
[M]+ 247.15668142 163.0
[M]- 247.15777858 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.