CID 43378541

[1-(4-tert-butylphenyl)cyclopentyl]methanamine

Structural Information

Molecular Formula
C16H25N
SMILES
CC(C)(C)C1=CC=C(C=C1)C2(CCCC2)CN
InChI
InChI=1S/C16H25N/c1-15(2,3)13-6-8-14(9-7-13)16(12-17)10-4-5-11-16/h6-9H,4-5,10-12,17H2,1-3H3
InChIKey
LXUQWFWHUAKETK-UHFFFAOYSA-N
Compound name
[1-(4-tert-butylphenyl)cyclopentyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.1987 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.20598 157.5
[M+Na]+ 254.18792 162.8
[M-H]- 230.19142 163.3
[M+NH4]+ 249.23252 178.8
[M+K]+ 270.16186 159.2
[M+H-H2O]+ 214.19596 151.7
[M+HCOO]- 276.19690 178.0
[M+CH3COO]- 290.21255 193.2
[M+Na-2H]- 252.17337 160.6
[M]+ 231.19815 153.6
[M]- 231.19925 153.6
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.