CID 12148227

1-methoxycyclohexane-1-carbaldehyde

Structural Information

Molecular Formula
C8H14O2
SMILES
COC1(CCCCC1)C=O
InChI
InChI=1S/C8H14O2/c1-10-8(7-9)5-3-2-4-6-8/h7H,2-6H2,1H3
InChIKey
OILCHBAQTQAYTJ-UHFFFAOYSA-N
Compound name
1-methoxycyclohexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

142.09938 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 129.8
[M+Na]+ 165.08860 135.7
[M-H]- 141.09210 132.9
[M+NH4]+ 160.13320 153.1
[M+K]+ 181.06254 135.5
[M+H-H2O]+ 125.09664 125.2
[M+HCOO]- 187.09758 151.0
[M+CH3COO]- 201.11323 172.1
[M+Na-2H]- 163.07405 136.7
[M]+ 142.09883 127.6
[M]- 142.09993 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe