CID 126984403

1-methoxy-3-methylcyclohexane-1-carbaldehyde

Structural Information

Molecular Formula
C9H16O2
SMILES
CC1CCCC(C1)(C=O)OC
InChI
InChI=1S/C9H16O2/c1-8-4-3-5-9(6-8,7-10)11-2/h7-8H,3-6H2,1-2H3
InChIKey
PMBYQYCYPWBISC-UHFFFAOYSA-N
Compound name
1-methoxy-3-methylcyclohexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 133.2
[M+Na]+ 179.104258 139.6
[M-H]- 155.107764 136.5
[M+NH4]+ 174.148863 156.2
[M+K]+ 195.078198 139.1
[M+H-H2O]+ 139.112300 128.7
[M+HCOO]- 201.113241 154.1
[M+CH3COO]- 215.128891 176.3
[M+Na-2H]- 177.089706 139.0
[M]+ 156.11449142 131.7
[M]- 156.11558858 131.7
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.