CID 421054

4,4-dimethylcyclohexan-1-amine

Structural Information

Molecular Formula
C8H17N
SMILES
CC1(CCC(CC1)N)C
InChI
InChI=1S/C8H17N/c1-8(2)5-3-7(9)4-6-8/h7H,3-6,9H2,1-2H3
InChIKey
CAUXQOLTFGCRKD-UHFFFAOYSA-N
Compound name
4,4-dimethylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

519
Patents

127.1361 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 128.5
[M+Na]+ 150.12532 134.3
[M-H]- 126.12882 131.4
[M+NH4]+ 145.16992 152.3
[M+K]+ 166.09926 133.2
[M+H-H2O]+ 110.13336 124.1
[M+HCOO]- 172.13430 149.4
[M+CH3COO]- 186.14995 174.2
[M+Na-2H]- 148.11077 133.9
[M]+ 127.13555 122.6
[M]- 127.13665 122.6
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