CID 94558307

Rac-methyl({[(1r,2r)-2-(4-methylphenyl)cyclopropyl]methyl})amine hydrochloride

Structural Information

Molecular Formula
C12H17N
SMILES
CC1=CC=C(C=C1)[C@@H]2C[C@H]2CNC
InChI
InChI=1S/C12H17N/c1-9-3-5-10(6-4-9)12-7-11(12)8-13-2/h3-6,11-13H,7-8H2,1-2H3/t11-,12-/m0/s1
InChIKey
VGQGBZHDCGMTKZ-RYUDHWBXSA-N
Compound name
N-methyl-1-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.1361 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 135.8
[M+Na]+ 198.12532 144.9
[M-H]- 174.12882 143.7
[M+NH4]+ 193.16992 151.5
[M+K]+ 214.09926 141.5
[M+H-H2O]+ 158.13336 129.3
[M+HCOO]- 220.13430 161.0
[M+CH3COO]- 234.14995 189.0
[M+Na-2H]- 196.11077 142.2
[M]+ 175.13555 138.0
[M]- 175.13665 138.0
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.