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]+ 224.120056 148.9
[M+Na]+ 246.101998 153.8
[M-H]- 222.105504 155.0
[M+NH4]+ 241.146603 166.3
[M+K]+ 262.075938 153.4
[M+H-H2O]+ 206.110040 143.2
[M+HCOO]- 268.110981 164.8
[M+CH3COO]- 282.126631 160.1
[M+Na-2H]- 244.087446 151.6
[M]+ 223.11223142 141.6
[M]- 223.11332858 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.