CID 82415835

2-(aminomethyl)-4,4-dimethylcyclohexan-1-ol

Structural Information

Molecular Formula
C9H19NO
SMILES
CC1(CCC(C(C1)CN)O)C
InChI
InChI=1S/C9H19NO/c1-9(2)4-3-8(11)7(5-9)6-10/h7-8,11H,3-6,10H2,1-2H3
InChIKey
GJPRLMIJSXDNSB-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-4,4-dimethylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.14667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 136.3
[M+Na]+ 180.135888 142.2
[M-H]- 156.139394 137.9
[M+NH4]+ 175.180493 158.5
[M+K]+ 196.109828 140.4
[M+H-H2O]+ 140.143930 132.1
[M+HCOO]- 202.144871 155.6
[M+CH3COO]- 216.160521 177.8
[M+Na-2H]- 178.121336 140.1
[M]+ 157.14612142 130.8
[M]- 157.14721858 130.8
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

No patent data available for this compound.