CID 10931680

84393-03-3

Structural Information

Molecular Formula
C8H12O3
SMILES
COC(=O)C1(CCCC1)C=O
InChI
InChI=1S/C8H12O3/c1-11-7(10)8(6-9)4-2-3-5-8/h6H,2-5H2,1H3
InChIKey
YGQQKLBBWIBWKJ-UHFFFAOYSA-N
Compound name
methyl 1-formylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

156.07864 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 132.6
[M+Na]+ 179.06786 139.5
[M-H]- 155.07136 136.0
[M+NH4]+ 174.11246 157.0
[M+K]+ 195.04180 139.4
[M+H-H2O]+ 139.07590 128.4
[M+HCOO]- 201.07684 155.4
[M+CH3COO]- 215.09249 173.1
[M+Na-2H]- 177.05331 137.1
[M]+ 156.07809 132.5
[M]- 156.07919 132.5
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.