CID 65052683

(1-methoxy-4,4-dimethylcyclohexyl)methanamine

Structural Information

Molecular Formula
C10H21NO
SMILES
CC1(CCC(CC1)(CN)OC)C
InChI
InChI=1S/C10H21NO/c1-9(2)4-6-10(8-11,12-3)7-5-9/h4-8,11H2,1-3H3
InChIKey
UKDWTDHNTPDNRJ-UHFFFAOYSA-N
Compound name
(1-methoxy-4,4-dimethylcyclohexyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.16231 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.169586 139.2
[M+Na]+ 194.151528 145.1
[M-H]- 170.155034 142.1
[M+NH4]+ 189.196133 163.2
[M+K]+ 210.125468 144.3
[M+H-H2O]+ 154.159570 135.2
[M+HCOO]- 216.160511 159.7
[M+CH3COO]- 230.176161 182.1
[M+Na-2H]- 192.136976 144.8
[M]+ 171.16176142 136.0
[M]- 171.16285858 136.0
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.