CID 131213775

1-(methoxymethyl)cycloheptane-1-carbaldehyde

Structural Information

Molecular Formula
C10H18O2
SMILES
COCC1(CCCCCC1)C=O
InChI
InChI=1S/C10H18O2/c1-12-9-10(8-11)6-4-2-3-5-7-10/h8H,2-7,9H2,1H3
InChIKey
KVWYFKCNCRDHIC-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)cycloheptane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 134.3
[M+Na]+ 193.11990 142.6
[M+NH4]+ 188.16450 143.3
[M+K]+ 209.09384 136.6
[M-H]- 169.12340 135.6
[M+Na-2H]- 191.10535 140.7
[M]+ 170.13013 135.9
[M]- 170.13123 135.9
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

No patent data available for this compound.