CID 10240817

Rac-methyl (1r,2s)-2-formylcyclopropane-1-carboxylate

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-/m1/s1
InChIKey
YPCWFMYMKSRCAZ-RFZPGFLSSA-N
Compound name
trans-methyl (1R,2S)-2-formylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

128.04735 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.054626 124.7
[M+Na]+ 151.036568 135.2
[M-H]- 127.040074 130.0
[M+NH4]+ 146.081173 142.3
[M+K]+ 167.010508 134.0
[M+H-H2O]+ 111.044610 119.5
[M+HCOO]- 173.045551 148.9
[M+CH3COO]- 187.061201 174.8
[M+Na-2H]- 149.022016 130.5
[M]+ 128.04680142 129.8
[M]- 128.04789858 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

patents stripe