CID 22379847

4-amino-4-methylcyclohexan-1-ol hydrochloride

Structural Information

Molecular Formula
C7H15NO
SMILES
CC1(CCC(CC1)O)N
InChI
InChI=1S/C7H15NO/c1-7(8)4-2-6(9)3-5-7/h6,9H,2-5,8H2,1H3
InChIKey
KVXJOQDOXLXUSA-UHFFFAOYSA-N
Compound name
4-amino-4-methylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

129.11537 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 128.1
[M+Na]+ 152.104588 133.8
[M-H]- 128.108094 129.6
[M+NH4]+ 147.149193 151.0
[M+K]+ 168.078528 132.5
[M+H-H2O]+ 112.112630 123.9
[M+HCOO]- 174.113571 148.0
[M+CH3COO]- 188.129221 170.6
[M+Na-2H]- 150.090036 133.5
[M]+ 129.11482142 121.4
[M]- 129.11591858 121.4
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