CID 126984403

1866181-11-4

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]+ 157.12232 133.2
[M+Na]+ 179.10426 139.6
[M-H]- 155.10776 136.5
[M+NH4]+ 174.14886 156.2
[M+K]+ 195.07820 139.1
[M+H-H2O]+ 139.11230 128.7
[M+HCOO]- 201.11324 154.1
[M+CH3COO]- 215.12889 176.3
[M+Na-2H]- 177.08971 139.0
[M]+ 156.11449 131.7
[M]- 156.11559 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.