CID 20110058

933752-65-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.09712 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10440 147.5
[M+Na]+ 232.08634 154.7
[M-H]- 208.08984 153.3
[M+NH4]+ 227.13094 170.2
[M+K]+ 248.06028 149.5
[M+H-H2O]+ 192.09438 142.1
[M+HCOO]- 254.09532 166.3
[M+CH3COO]- 268.11097 185.2
[M+Na-2H]- 230.07179 151.1
[M]+ 209.09657 144.7
[M]- 209.09767 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

No patent data available for this compound.