CID 53415969

Methyl 1-formylcyclopropane-1-carboxylate

Structural Information

Molecular Formula
C6H8O3
SMILES
COC(=O)C1(CC1)C=O
InChI
InChI=1S/C6H8O3/c1-9-5(8)6(4-7)2-3-6/h4H,2-3H2,1H3
InChIKey
RMPZPDNSMGBBAE-UHFFFAOYSA-N
Compound name
methyl 1-formylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

128.04735 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.054626 126.2
[M+Na]+ 151.036568 136.5
[M-H]- 127.040074 131.5
[M+NH4]+ 146.081173 145.4
[M+K]+ 167.010508 136.2
[M+H-H2O]+ 111.044610 122.0
[M+HCOO]- 173.045551 150.0
[M+CH3COO]- 187.061201 173.3
[M+Na-2H]- 149.022016 133.6
[M]+ 128.04680142 131.3
[M]- 128.04789858 131.3
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

patents stripe