CID 12235602

2-[(4-methoxyphenyl)methylidene]butanoic acid

Structural Information

Molecular Formula
C12H14O3
SMILES
CC/C(=C\C1=CC=C(C=C1)OC)/C(=O)O
InChI
InChI=1S/C12H14O3/c1-3-10(12(13)14)8-9-4-6-11(15-2)7-5-9/h4-8H,3H2,1-2H3,(H,13,14)/b10-8+
InChIKey
KUPCCVYANAHYEX-CSKARUKUSA-N
Compound name
(2E)-2-[(4-methoxyphenyl)methylidene]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

206.0943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.101576 145.2
[M+Na]+ 229.083518 151.9
[M-H]- 205.087024 147.5
[M+NH4]+ 224.128123 163.5
[M+K]+ 245.057458 149.8
[M+H-H2O]+ 189.091560 139.5
[M+HCOO]- 251.092501 166.4
[M+CH3COO]- 265.108151 184.3
[M+Na-2H]- 227.068966 148.2
[M]+ 206.09375142 146.3
[M]- 206.09484858 146.3
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