CID 110932

2,6-dimethylcyclohexylamine

Structural Information

Molecular Formula
C8H17N
SMILES
CC1CCCC(C1N)C
InChI
InChI=1S/C8H17N/c1-6-4-3-5-7(2)8(6)9/h6-8H,3-5,9H2,1-2H3
InChIKey
KSGAAWJLYHYMLT-UHFFFAOYSA-N
Compound name
2,6-dimethylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

434
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 128.8
[M+Na]+ 150.12532 134.6
[M-H]- 126.12882 131.7
[M+NH4]+ 145.16992 150.9
[M+K]+ 166.09926 133.3
[M+H-H2O]+ 110.13336 123.8
[M+HCOO]- 172.13430 149.7
[M+CH3COO]- 186.14995 175.8
[M+Na-2H]- 148.11077 132.4
[M]+ 127.13555 123.0
[M]- 127.13665 123.0
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