CID 297919

120552-57-0

Structural Information

Molecular Formula
C8H14O2
SMILES
COC1CCC(CC1)C=O
InChI
InChI=1S/C8H14O2/c1-10-8-4-2-7(6-9)3-5-8/h6-8H,2-5H2,1H3
InChIKey
YRBWGQDHNJVXSO-UHFFFAOYSA-N
Compound name
4-methoxycyclohexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

357
Patents

142.09938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 129.3
[M+Na]+ 165.08860 135.2
[M-H]- 141.09210 132.4
[M+NH4]+ 160.13320 150.8
[M+K]+ 181.06254 134.8
[M+H-H2O]+ 125.09664 124.1
[M+HCOO]- 187.09758 150.5
[M+CH3COO]- 201.11323 173.7
[M+Na-2H]- 163.07405 134.5
[M]+ 142.09883 127.1
[M]- 142.09993 127.1
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