CID 20383073

72914-12-6

Structural Information

Molecular Formula
C11H12O3
SMILES
CC1=CC2=C(C=C1)OC(CC2)C(=O)O
InChI
InChI=1S/C11H12O3/c1-7-2-4-9-8(6-7)3-5-10(14-9)11(12)13/h2,4,6,10H,3,5H2,1H3,(H,12,13)
InChIKey
PXDGCYQSRSOBOE-UHFFFAOYSA-N
Compound name
6-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

192.07864 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe