CID 3033807

105335-53-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1419 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 147.6
[M+Na]+ 241.13112 155.4
[M-H]- 217.13462 156.1
[M+NH4]+ 236.17572 163.1
[M+K]+ 257.10506 153.7
[M+H-H2O]+ 201.13916 141.5
[M+HCOO]- 263.14010 172.4
[M+CH3COO]- 277.15575 199.1
[M+Na-2H]- 239.11657 152.4
[M]+ 218.14135 149.8
[M]- 218.14245 149.8
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.