CID 10608330

115974-97-5

Structural Information

Molecular Formula
C11H10O4
SMILES
COC(=O)/C=C/C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C11H10O4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-7H,1H3,(H,13,14)/b7-4+
InChIKey
WNQUXRWZRJWTBX-QPJJXVBHSA-N
Compound name
4-[(E)-3-methoxy-3-oxoprop-1-enyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

206.0579 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.065176 142.2
[M+Na]+ 229.047118 149.6
[M-H]- 205.050624 144.7
[M+NH4]+ 224.091723 160.4
[M+K]+ 245.021058 147.6
[M+H-H2O]+ 189.055160 136.5
[M+HCOO]- 251.056101 164.2
[M+CH3COO]- 265.071751 181.8
[M+Na-2H]- 227.032566 145.8
[M]+ 206.05735142 143.6
[M]- 206.05844858 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe