CID 14269840

60212-42-2

Structural Information

Molecular Formula
C5H8O3
SMILES
CO[C@@H]1C[C@H]1C(=O)O
InChI
InChI=1S/C5H8O3/c1-8-4-2-3(4)5(6)7/h3-4H,2H2,1H3,(H,6,7)/t3-,4-/m1/s1
InChIKey
LAWCUGGFTNCCKX-QWWZWVQMSA-N
Compound name
trans-(1R,2R)-2-methoxycyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

116.04734 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.054616 120.6
[M+Na]+ 139.036558 130.8
[M-H]- 115.040064 124.7
[M+NH4]+ 134.081163 138.0
[M+K]+ 155.010498 129.4
[M+H-H2O]+ 99.044600 115.7
[M+HCOO]- 161.045541 143.5
[M+CH3COO]- 175.061191 170.8
[M+Na-2H]- 137.022006 126.5
[M]+ 116.04679142 124.3
[M]- 116.04788858 124.3
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