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
cis-(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]+ 219.149176 147.6
[M+Na]+ 241.131118 155.4
[M-H]- 217.134624 156.1
[M+NH4]+ 236.175723 163.1
[M+K]+ 257.105058 153.7
[M+H-H2O]+ 201.139160 141.5
[M+HCOO]- 263.140101 172.4
[M+CH3COO]- 277.155751 199.1
[M+Na-2H]- 239.116566 152.4
[M]+ 218.14135142 149.8
[M]- 218.14244858 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.