CID 54594611

(1-amino-3,3,5-trimethylcyclohexyl)methanol

Structural Information

Molecular Formula
C10H21NO
SMILES
CC1CC(CC(C1)(CO)N)(C)C
InChI
InChI=1S/C10H21NO/c1-8-4-9(2,3)6-10(11,5-8)7-12/h8,12H,4-7,11H2,1-3H3
InChIKey
PYPLUNYMZUDMPI-UHFFFAOYSA-N
Compound name
(1-amino-3,3,5-trimethylcyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.16231 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.169586 139.1
[M+Na]+ 194.151528 145.5
[M-H]- 170.155034 140.9
[M+NH4]+ 189.196133 162.7
[M+K]+ 210.125468 143.8
[M+H-H2O]+ 154.159570 135.7
[M+HCOO]- 216.160511 158.0
[M+CH3COO]- 230.176161 180.7
[M+Na-2H]- 192.136976 143.6
[M]+ 171.16176142 134.4
[M]- 171.16285858 134.4
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

No patent data available for this compound.