CID 104113

Cyclohexanamine, n-chloro-

Structural Information

Molecular Formula
C6H12ClN
SMILES
C1CCC(CC1)NCl
InChI
InChI=1S/C6H12ClN/c7-8-6-4-2-1-3-5-6/h6,8H,1-5H2
InChIKey
SJGFVFYSANQLLE-UHFFFAOYSA-N
Compound name
N-chlorocyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

140
Patents

133.06583 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07311 126.7
[M+Na]+ 156.05505 132.1
[M-H]- 132.05855 129.3
[M+NH4]+ 151.09965 148.8
[M+K]+ 172.02899 129.6
[M+H-H2O]+ 116.06309 122.2
[M+HCOO]- 178.06403 144.3
[M+CH3COO]- 192.07968 172.1
[M+Na-2H]- 154.04050 133.2
[M]+ 133.06528 122.3
[M]- 133.06638 122.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe