CID 62602883

2-(4-chlorophenyl)cycloheptan-1-amine hydrochloride

Structural Information

Molecular Formula
C13H18ClN
SMILES
C1CCC(C(CC1)N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H18ClN/c14-11-8-6-10(7-9-11)12-4-2-1-3-5-13(12)15/h6-9,12-13H,1-5,15H2
InChIKey
INHJKJSVIIXHQH-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)cycloheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11278 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12006 148.9
[M+Na]+ 246.10200 153.8
[M-H]- 222.10550 155.0
[M+NH4]+ 241.14660 166.3
[M+K]+ 262.07594 153.4
[M+H-H2O]+ 206.11004 143.2
[M+HCOO]- 268.11098 164.8
[M+CH3COO]- 282.12663 160.1
[M+Na-2H]- 244.08745 151.6
[M]+ 223.11223 141.6
[M]- 223.11333 141.6
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.