CID 544452

4-(3-butenyloxy)benzoic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
C=CCCOC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C11H12O3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h2,4-7H,1,3,8H2,(H,12,13)
InChIKey
QXZIOUAINSTHGI-UHFFFAOYSA-N
Compound name
4-but-3-enoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

82
Patents

192.07864 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 141.5
[M+Na]+ 215.06786 153.3
[M+NH4]+ 210.11246 148.7
[M+K]+ 231.04180 147.4
[M-H]- 191.07136 142.1
[M+Na-2H]- 213.05331 147.0
[M]+ 192.07809 143.1
[M]- 192.07919 143.1
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