CID 59929

105310-35-8

Structural Information

Molecular Formula
C13H18N2O
SMILES
CCNC(=O)[C@@]1(C[C@@H]1CN)C2=CC=CC=C2
InChI
InChI=1S/C13H18N2O/c1-2-15-12(16)13(8-11(13)9-14)10-6-4-3-5-7-10/h3-7,11H,2,8-9,14H2,1H3,(H,15,16)/t11-,13+/m1/s1
InChIKey
UVKUMJGXPDEXSQ-YPMHNXCESA-N
Compound name
(1R,2S)-2-(aminomethyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

10
Patents

218.1419 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 146.6
[M+Na]+ 241.13112 154.3
[M-H]- 217.13462 153.7
[M+NH4]+ 236.17572 161.5
[M+K]+ 257.10506 151.2
[M+H-H2O]+ 201.13916 140.7
[M+HCOO]- 263.14010 171.0
[M+CH3COO]- 277.15575 195.8
[M+Na-2H]- 239.11657 152.3
[M]+ 218.14135 147.7
[M]- 218.14245 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.