CID 165796892

1101485-16-8

Structural Information

Molecular Formula
C7H8O4
SMILES
COC(=O)[C@@H]1[C@H](C1=C)C(=O)O
InChI
InChI=1S/C7H8O4/c1-3-4(6(8)9)5(3)7(10)11-2/h4-5H,1H2,2H3,(H,8,9)/t4-,5-/m0/s1
InChIKey
PQMHRWNQDAOZRQ-WHFBIAKZSA-N
Compound name
(1R,2R)-2-methoxycarbonyl-3-methylidenecyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.04225 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04953 128.8
[M+Na]+ 179.03147 139.4
[M-H]- 155.03497 133.0
[M+NH4]+ 174.07607 144.7
[M+K]+ 195.00541 136.9
[M+H-H2O]+ 139.03951 124.0
[M+HCOO]- 201.04045 150.6
[M+CH3COO]- 215.05610 178.3
[M+Na-2H]- 177.01692 131.9
[M]+ 156.04170 133.1
[M]- 156.04280 133.1
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.