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]+ 232.205976 157.5
[M+Na]+ 254.187918 162.8
[M-H]- 230.191424 163.3
[M+NH4]+ 249.232523 178.8
[M+K]+ 270.161858 159.2
[M+H-H2O]+ 214.195960 151.7
[M+HCOO]- 276.196901 178.0
[M+CH3COO]- 290.212551 193.2
[M+Na-2H]- 252.173366 160.6
[M]+ 231.19815142 153.6
[M]- 231.19924858 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.