CID 62829515

1176667-98-3

Structural Information

Molecular Formula
C12H16BrN
SMILES
C1CCC(C1)(CN)C2=CC=CC=C2Br
InChI
InChI=1S/C12H16BrN/c13-11-6-2-1-5-10(11)12(9-14)7-3-4-8-12/h1-2,5-6H,3-4,7-9,14H2
InChIKey
VKAHWYYUTWZAMY-UHFFFAOYSA-N
Compound name
[1-(2-bromophenyl)cyclopentyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.04662 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05390 153.3
[M+Na]+ 276.03584 162.9
[M-H]- 252.03934 161.7
[M+NH4]+ 271.08044 176.9
[M+K]+ 292.00978 151.1
[M+H-H2O]+ 236.04388 153.3
[M+HCOO]- 298.04482 174.2
[M+CH3COO]- 312.06047 191.4
[M+Na-2H]- 274.02129 158.4
[M]+ 253.04607 167.5
[M]- 253.04717 167.5
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.