CID 16227238

924873-03-0

Structural Information

Molecular Formula
C12H12O3
SMILES
C1C(COC2=CC=CC=C21)/C=C/C(=O)O
InChI
InChI=1S/C12H12O3/c13-12(14)6-5-9-7-10-3-1-2-4-11(10)15-8-9/h1-6,9H,7-8H2,(H,13,14)/b6-5+
InChIKey
VRORSHSQJGUNNU-AATRIKPKSA-N
Compound name
(E)-3-(3,4-dihydro-2H-chromen-3-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.07864 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 143.4
[M+Na]+ 227.06786 155.5
[M+NH4]+ 222.11246 151.6
[M+K]+ 243.04180 149.5
[M-H]- 203.07136 146.2
[M+Na-2H]- 225.05331 147.9
[M]+ 204.07809 145.7
[M]- 204.07919 145.7
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.