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

13
Patents

175.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 139.6
[M+Na]+ 198.125318 144.4
[M-H]- 174.128824 145.4
[M+NH4]+ 193.169923 154.6
[M+K]+ 214.099258 144.5
[M+H-H2O]+ 158.133360 128.6
[M+HCOO]- 220.134301 161.9
[M+CH3COO]- 234.149951 185.6
[M+Na-2H]- 196.110766 146.1
[M]+ 175.13555142 145.0
[M]- 175.13664858 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