CID 155970840

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

Structural Information

Molecular Formula
C11H12O3
SMILES
CC1COC(C2=CC=CC=C12)C(=O)O
InChI
InChI=1S/C11H12O3/c1-7-6-14-10(11(12)13)9-5-3-2-4-8(7)9/h2-5,7,10H,6H2,1H3,(H,12,13)
InChIKey
FGXYQASWSMFEHO-UHFFFAOYSA-N
Compound name
4-methyl-3,4-dihydro-1H-isochromene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 138.4
[M+Na]+ 215.06786 145.8
[M-H]- 191.07136 142.3
[M+NH4]+ 210.11246 157.2
[M+K]+ 231.04180 144.7
[M+H-H2O]+ 175.07590 132.9
[M+HCOO]- 237.07684 156.8
[M+CH3COO]- 251.09249 181.4
[M+Na-2H]- 213.05331 144.8
[M]+ 192.07809 137.6
[M]- 192.07919 137.6
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.