CID 28937825

1039932-20-1

Structural Information

Molecular Formula
C12H17N
SMILES
CC1=CC=CC=C1C2(CCC2)CN
InChI
InChI=1S/C12H17N/c1-10-5-2-3-6-11(10)12(9-13)7-4-8-12/h2-3,5-6H,4,7-9,13H2,1H3
InChIKey
ADSIGDXWZUFIND-UHFFFAOYSA-N
Compound name
[1-(2-methylphenyl)cyclobutyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 139.7
[M+Na]+ 198.12532 145.5
[M-H]- 174.12882 145.9
[M+NH4]+ 193.16992 155.0
[M+K]+ 214.09926 145.6
[M+H-H2O]+ 158.13336 129.0
[M+HCOO]- 220.13430 161.9
[M+CH3COO]- 234.14995 186.6
[M+Na-2H]- 196.11077 145.5
[M]+ 175.13555 145.5
[M]- 175.13665 145.5
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.