CID 55291111

(2-chlorocyclohexyl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H14ClN
SMILES
C1CCC(C(C1)CN)Cl
InChI
InChI=1S/C7H14ClN/c8-7-4-2-1-3-6(7)5-9/h6-7H,1-5,9H2
InChIKey
ODIQIEADGNMRQQ-UHFFFAOYSA-N
Compound name
(2-chlorocyclohexyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

147.08148 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.08876 131.7
[M+Na]+ 170.07070 137.6
[M-H]- 146.07420 134.0
[M+NH4]+ 165.11530 153.3
[M+K]+ 186.04464 134.4
[M+H-H2O]+ 130.07874 127.2
[M+HCOO]- 192.07968 148.3
[M+CH3COO]- 206.09533 175.5
[M+Na-2H]- 168.05615 135.8
[M]+ 147.08093 126.9
[M]- 147.08203 126.9
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