CID 130026253

4,4-dimethoxycyclohexane-1-carbaldehyde

Structural Information

Molecular Formula
C9H16O3
SMILES
COC1(CCC(CC1)C=O)OC
InChI
InChI=1S/C9H16O3/c1-11-9(12-2)5-3-8(7-10)4-6-9/h7-8H,3-6H2,1-2H3
InChIKey
GQEGMDWVLLDNQC-UHFFFAOYSA-N
Compound name
4,4-dimethoxycyclohexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

172.10994 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 136.2
[M+Na]+ 195.099158 142.5
[M-H]- 171.102664 139.4
[M+NH4]+ 190.143763 158.5
[M+K]+ 211.073098 142.6
[M+H-H2O]+ 155.107200 131.5
[M+HCOO]- 217.108141 157.3
[M+CH3COO]- 231.123791 178.3
[M+Na-2H]- 193.084606 142.1
[M]+ 172.10939142 136.2
[M]- 172.11048858 136.2
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

patents stripe