CID 82604462

2-(3,4-dihydro-2h-1-benzopyran-7-yl)acetic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
C1CC2=C(C=C(C=C2)CC(=O)O)OC1
InChI
InChI=1S/C11H12O3/c12-11(13)7-8-3-4-9-2-1-5-14-10(9)6-8/h3-4,6H,1-2,5,7H2,(H,12,13)
InChIKey
RFJCMDAOZMETIM-UHFFFAOYSA-N
Compound name
2-(3,4-dihydro-2H-chromen-7-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

192.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 139.5
[M+Na]+ 215.06786 151.8
[M+NH4]+ 210.11246 148.1
[M+K]+ 231.04180 146.1
[M-H]- 191.07136 142.6
[M+Na-2H]- 213.05331 144.4
[M]+ 192.07809 142.0
[M]- 192.07919 142.0
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

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