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]+ 171.137956 133.7
[M+Na]+ 193.119898 136.7
[M-H]- 169.123404 137.4
[M+NH4]+ 188.164503 154.1
[M+K]+ 209.093838 139.7
[M+H-H2O]+ 153.127940 129.2
[M+HCOO]- 215.128881 153.4
[M+CH3COO]- 229.144531 180.2
[M+Na-2H]- 191.105346 139.2
[M]+ 170.13013142 128.9
[M]- 170.13122858 128.9
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.