CID 3069916

85467-28-3

Structural Information

Molecular Formula
C16H23NO3
SMILES
CCOC(=O)[C@@]1(C[C@@H]1CN(C)CCO)C2=CC=CC=C2
InChI
InChI=1S/C16H23NO3/c1-3-20-15(19)16(13-7-5-4-6-8-13)11-14(16)12-17(2)9-10-18/h4-8,14,18H,3,9-12H2,1-2H3/t14-,16+/m1/s1
InChIKey
FASFUZOMZPMGRO-ZBFHGGJFSA-N
Compound name
ethyl (1R,2S)-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 163.9
[M+Na]+ 300.15702 170.7
[M-H]- 276.16052 171.0
[M+NH4]+ 295.20162 176.8
[M+K]+ 316.13096 168.8
[M+H-H2O]+ 260.16506 157.5
[M+HCOO]- 322.16600 186.2
[M+CH3COO]- 336.18165 205.0
[M+Na-2H]- 298.14247 167.4
[M]+ 277.16725 169.8
[M]- 277.16835 169.8
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.