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
(1R,2R)-2-methoxycyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

116.04734 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.05462 120.6
[M+Na]+ 139.03656 130.8
[M-H]- 115.04006 124.7
[M+NH4]+ 134.08116 138.0
[M+K]+ 155.01050 129.4
[M+H-H2O]+ 99.044600 115.7
[M+HCOO]- 161.04554 143.5
[M+CH3COO]- 175.06119 170.8
[M+Na-2H]- 137.02201 126.5
[M]+ 116.04679 124.3
[M]- 116.04789 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