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]+ 190.15903 145.5
[M+Na]+ 212.14097 151.8
[M-H]- 188.14447 152.0
[M+NH4]+ 207.18557 162.2
[M+K]+ 228.11491 151.7
[M+H-H2O]+ 172.14901 135.7
[M+HCOO]- 234.14995 167.4
[M+CH3COO]- 248.16560 189.3
[M+Na-2H]- 210.12642 151.6
[M]+ 189.15120 151.9
[M]- 189.15230 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.