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
cis-(1R,2S)-2-(aminomethyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

11
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

patents stripe