CID 65000754

(3,3-dimethyl-1-phenylcyclobutyl)methanamine

Structural Information

Molecular Formula
C13H19N
SMILES
CC1(CC(C1)(CN)C2=CC=CC=C2)C
InChI
InChI=1S/C13H19N/c1-12(2)8-13(9-12,10-14)11-6-4-3-5-7-11/h3-7H,8-10,14H2,1-2H3
InChIKey
ZLIKYKRWENVWHA-UHFFFAOYSA-N
Compound name
(3,3-dimethyl-1-phenylcyclobutyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15175 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 145.5
[M+Na]+ 212.140968 151.8
[M-H]- 188.144474 152.0
[M+NH4]+ 207.185573 162.2
[M+K]+ 228.114908 151.7
[M+H-H2O]+ 172.149010 135.7
[M+HCOO]- 234.149951 167.4
[M+CH3COO]- 248.165601 189.3
[M+Na-2H]- 210.126416 151.6
[M]+ 189.15120142 151.9
[M]- 189.15229858 151.9
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.