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]+ 157.122316 129.3
[M+Na]+ 179.104258 132.7
[M-H]- 155.107764 133.2
[M+NH4]+ 174.148863 150.3
[M+K]+ 195.078198 135.9
[M+H-H2O]+ 139.112300 125.0
[M+HCOO]- 201.113241 149.3
[M+CH3COO]- 215.128891 177.4
[M+Na-2H]- 177.089706 135.4
[M]+ 156.11449142 124.2
[M]- 156.11558858 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.