CID 61778209

N-[(2-methylphenyl)methyl]cyclobutanamine hydrochloride

Structural Information

Molecular Formula
C12H17N
SMILES
CC1=CC=CC=C1CNC2CCC2
InChI
InChI=1S/C12H17N/c1-10-5-2-3-6-11(10)9-13-12-7-4-8-12/h2-3,5-6,12-13H,4,7-9H2,1H3
InChIKey
DXLOTVVOJGKVDW-UHFFFAOYSA-N
Compound name
N-[(2-methylphenyl)methyl]cyclobutanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 136.7
[M+Na]+ 198.12532 141.5
[M-H]- 174.12882 142.9
[M+NH4]+ 193.16992 150.2
[M+K]+ 214.09926 141.9
[M+H-H2O]+ 158.13336 124.9
[M+HCOO]- 220.13430 159.5
[M+CH3COO]- 234.14995 187.8
[M+Na-2H]- 196.11077 142.7
[M]+ 175.13555 143.1
[M]- 175.13665 143.1
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.