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 133.7
[M+Na]+ 193.11990 136.7
[M-H]- 169.12340 137.4
[M+NH4]+ 188.16450 154.1
[M+K]+ 209.09384 139.7
[M+H-H2O]+ 153.12794 129.2
[M+HCOO]- 215.12888 153.4
[M+CH3COO]- 229.14453 180.2
[M+Na-2H]- 191.10535 139.2
[M]+ 170.13013 128.9
[M]- 170.13123 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.