CID 580778

75180-51-7

Structural Information

Molecular Formula
C12H16ClN
SMILES
C1CCC(C1)(CN)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H16ClN/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h3-6H,1-2,7-9,14H2
InChIKey
LJXNEBZTTYBJJO-UHFFFAOYSA-N
Compound name
[1-(4-chlorophenyl)cyclopentyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

209.09712 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.104396 147.5
[M+Na]+ 232.086338 154.7
[M-H]- 208.089844 153.3
[M+NH4]+ 227.130943 170.2
[M+K]+ 248.060278 149.5
[M+H-H2O]+ 192.094380 142.1
[M+HCOO]- 254.095321 166.3
[M+CH3COO]- 268.110971 185.2
[M+Na-2H]- 230.071786 151.1
[M]+ 209.09657142 144.7
[M]- 209.09766858 144.7
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

patents stripe