CID 130025540

854915-94-9

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1CCC(C1)(C=O)OC
InChI
InChI=1S/C8H14O2/c1-7-3-4-8(5-7,6-9)10-2/h6-7H,3-5H2,1-2H3
InChIKey
HKRRDJMGAKJMMW-UHFFFAOYSA-N
Compound name
1-methoxy-3-methylcyclopentane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 129.0
[M+Na]+ 165.088598 136.8
[M-H]- 141.092104 132.6
[M+NH4]+ 160.133203 154.4
[M+K]+ 181.062538 136.3
[M+H-H2O]+ 125.096640 125.1
[M+HCOO]- 187.097581 152.3
[M+CH3COO]- 201.113231 173.0
[M+Na-2H]- 163.074046 134.1
[M]+ 142.09883142 129.2
[M]- 142.09992858 129.2
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.