CID 4962029

N,4-dimethylcyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H17N
SMILES
CC1CCC(CC1)NC
InChI
InChI=1S/C8H17N/c1-7-3-5-8(9-2)6-4-7/h7-9H,3-6H2,1-2H3
InChIKey
YBPHGVBAJQGYDH-UHFFFAOYSA-N
Compound name
N,4-dimethylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

502
Patents

127.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 128.6
[M+Na]+ 150.12532 133.4
[M-H]- 126.12882 131.6
[M+NH4]+ 145.16992 150.6
[M+K]+ 166.09926 132.5
[M+H-H2O]+ 110.13336 123.3
[M+HCOO]- 172.13430 150.1
[M+CH3COO]- 186.14995 175.3
[M+Na-2H]- 148.11077 134.0
[M]+ 127.13555 123.4
[M]- 127.13665 123.4
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