CID 18999674

(1-benzylcyclobutyl)methanamine hydrochloride

Structural Information

Molecular Formula
C12H17N
SMILES
C1CC(C1)(CC2=CC=CC=C2)CN
InChI
InChI=1S/C12H17N/c13-10-12(7-4-8-12)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,13H2
InChIKey
LFQUDPUKJQUQHR-UHFFFAOYSA-N
Compound name
(1-benzylcyclobutyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 139.6
[M+Na]+ 198.12532 144.4
[M-H]- 174.12882 145.4
[M+NH4]+ 193.16992 154.6
[M+K]+ 214.09926 144.5
[M+H-H2O]+ 158.13336 128.6
[M+HCOO]- 220.13430 161.9
[M+CH3COO]- 234.14995 185.6
[M+Na-2H]- 196.11077 146.1
[M]+ 175.13555 145.0
[M]- 175.13665 145.0
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

patents stripe