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]+ 176.143376 136.7
[M+Na]+ 198.125318 141.5
[M-H]- 174.128824 142.9
[M+NH4]+ 193.169923 150.2
[M+K]+ 214.099258 141.9
[M+H-H2O]+ 158.133360 124.9
[M+HCOO]- 220.134301 159.5
[M+CH3COO]- 234.149951 187.8
[M+Na-2H]- 196.110766 142.7
[M]+ 175.13555142 143.1
[M]- 175.13664858 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.