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
trans-(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]+ 157.049526 128.8
[M+Na]+ 179.031468 139.4
[M-H]- 155.034974 133.0
[M+NH4]+ 174.076073 144.7
[M+K]+ 195.005408 136.9
[M+H-H2O]+ 139.039510 124.0
[M+HCOO]- 201.040451 150.6
[M+CH3COO]- 215.056101 178.3
[M+Na-2H]- 177.016916 131.9
[M]+ 156.04170142 133.1
[M]- 156.04279858 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.