CID 12148228

1-methoxycycloheptane-1-carbaldehyde

Structural Information

Molecular Formula
C9H16O2
SMILES
COC1(CCCCCC1)C=O
InChI
InChI=1S/C9H16O2/c1-11-9(8-10)6-4-2-3-5-7-9/h8H,2-7H2,1H3
InChIKey
WEAOILDQGFCPFA-UHFFFAOYSA-N
Compound name
1-methoxycycloheptane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 129.3
[M+Na]+ 179.10426 132.7
[M-H]- 155.10776 133.2
[M+NH4]+ 174.14886 150.3
[M+K]+ 195.07820 135.9
[M+H-H2O]+ 139.11230 125.0
[M+HCOO]- 201.11324 149.3
[M+CH3COO]- 215.12889 177.4
[M+Na-2H]- 177.08971 135.4
[M]+ 156.11449 124.2
[M]- 156.11559 124.2
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

No patent data available for this compound.