CID 21951714

2-methyl-3,4-dihydro-2h-1-benzopyran-2-carboxylic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
CC1(CCC2=CC=CC=C2O1)C(=O)O
InChI
InChI=1S/C11H12O3/c1-11(10(12)13)7-6-8-4-2-3-5-9(8)14-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey
VQBHRCHDEHKUIT-UHFFFAOYSA-N
Compound name
2-methyl-3,4-dihydrochromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

192.07864 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 139.9
[M+Na]+ 215.06786 152.3
[M+NH4]+ 210.11246 149.9
[M+K]+ 231.04180 144.9
[M-H]- 191.07136 143.0
[M+Na-2H]- 213.05331 146.4
[M]+ 192.07809 142.6
[M]- 192.07919 142.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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