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]+ 205.085916 142.3
[M+Na]+ 227.067858 148.7
[M-H]- 203.071364 145.7
[M+NH4]+ 222.112463 160.2
[M+K]+ 243.041798 146.7
[M+H-H2O]+ 187.075900 136.5
[M+HCOO]- 249.076841 160.6
[M+CH3COO]- 263.092491 181.7
[M+Na-2H]- 225.053306 148.8
[M]+ 204.07809142 140.6
[M]- 204.07918858 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.