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 142.3
[M+Na]+ 227.06786 148.7
[M-H]- 203.07136 145.7
[M+NH4]+ 222.11246 160.2
[M+K]+ 243.04180 146.7
[M+H-H2O]+ 187.07590 136.5
[M+HCOO]- 249.07684 160.6
[M+CH3COO]- 263.09249 181.7
[M+Na-2H]- 225.05331 148.8
[M]+ 204.07809 140.6
[M]- 204.07919 140.6
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.