CID 43436650

1-(aminomethyl)-3-methylcyclohexanol hydrochloride

Structural Information

Molecular Formula
C8H17NO
SMILES
CC1CCCC(C1)(CN)O
InChI
InChI=1S/C8H17NO/c1-7-3-2-4-8(10,5-7)6-9/h7,10H,2-6,9H2,1H3
InChIKey
HCXBYIHIMJUDJQ-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-3-methylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

143.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 132.5
[M+Na]+ 166.12023 137.9
[M-H]- 142.12373 133.9
[M+NH4]+ 161.16483 154.9
[M+K]+ 182.09417 136.3
[M+H-H2O]+ 126.12827 128.2
[M+HCOO]- 188.12921 152.1
[M+CH3COO]- 202.14486 173.6
[M+Na-2H]- 164.10568 137.4
[M]+ 143.13046 126.2
[M]- 143.13156 126.2
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