CID 55358

85467-77-2

Structural Information

Molecular Formula
C16H23NO3
SMILES
CCOC(=O)[C@@]1(C[C@@H]1CN(C)C)C2=CC=C(C=C2)OC
InChI
InChI=1S/C16H23NO3/c1-5-20-15(18)16(10-13(16)11-17(2)3)12-6-8-14(19-4)9-7-12/h6-9,13H,5,10-11H2,1-4H3/t13-,16+/m1/s1
InChIKey
IAUCPLJDBGXNHF-CJNGLKHVSA-N
Compound name
ethyl (1R,2S)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 164.1
[M+Na]+ 300.15702 172.2
[M-H]- 276.16052 173.0
[M+NH4]+ 295.20162 178.1
[M+K]+ 316.13096 171.1
[M+H-H2O]+ 260.16506 157.7
[M+HCOO]- 322.16600 187.8
[M+CH3COO]- 336.18165 208.6
[M+Na-2H]- 298.14247 167.4
[M]+ 277.16725 172.2
[M]- 277.16835 172.2
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.