CID 82402912

1028666-38-7

Structural Information

Molecular Formula
C11H12O3
SMILES
C1COCC2=C1C=CC(=C2)CC(=O)O
InChI
InChI=1S/C11H12O3/c12-11(13)6-8-1-2-9-3-4-14-7-10(9)5-8/h1-2,5H,3-4,6-7H2,(H,12,13)
InChIKey
MIRGTQSHXBYBJF-UHFFFAOYSA-N
Compound name
2-(3,4-dihydro-1H-isochromen-7-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.07864 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 138.7
[M+Na]+ 215.06786 145.2
[M-H]- 191.07136 142.2
[M+NH4]+ 210.11246 157.1
[M+K]+ 231.04180 144.0
[M+H-H2O]+ 175.07590 132.9
[M+HCOO]- 237.07684 157.1
[M+CH3COO]- 251.09249 180.2
[M+Na-2H]- 213.05331 145.8
[M]+ 192.07809 137.4
[M]- 192.07919 137.4
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.