CID 129363693

35501-84-9

Structural Information

Molecular Formula
C6H8O3
SMILES
COC(=O)[C@@H]1C[C@H]1C=O
InChI
InChI=1S/C6H8O3/c1-9-6(8)5-2-4(5)3-7/h3-5H,2H2,1H3/t4-,5+/m0/s1
InChIKey
YPCWFMYMKSRCAZ-CRCLSJGQSA-N
Compound name
methyl (1R,2R)-2-formylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.04735 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 124.7
[M+Na]+ 151.03657 135.2
[M-H]- 127.04007 130.0
[M+NH4]+ 146.08117 142.3
[M+K]+ 167.01051 134.0
[M+H-H2O]+ 111.04461 119.5
[M+HCOO]- 173.04555 148.9
[M+CH3COO]- 187.06120 174.8
[M+Na-2H]- 149.02202 130.5
[M]+ 128.04680 129.8
[M]- 128.04790 129.8
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.