CID 22366290

2-methyl-3,4-dihydro-2h-1-benzopyran-6-carboxylic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
CC1CCC2=C(O1)C=CC(=C2)C(=O)O
InChI
InChI=1S/C11H12O3/c1-7-2-3-8-6-9(11(12)13)4-5-10(8)14-7/h4-7H,2-3H2,1H3,(H,12,13)
InChIKey
SYFBSOINEULZBZ-UHFFFAOYSA-N
Compound name
2-methyl-3,4-dihydro-2H-chromene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

192.07864 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 138.4
[M+Na]+ 215.067858 145.8
[M-H]- 191.071364 142.3
[M+NH4]+ 210.112463 157.2
[M+K]+ 231.041798 144.7
[M+H-H2O]+ 175.075900 132.9
[M+HCOO]- 237.076841 156.8
[M+CH3COO]- 251.092491 181.4
[M+Na-2H]- 213.053306 144.8
[M]+ 192.07809142 137.6
[M]- 192.07918858 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

patents stripe