CID 5319235

2,2-dimethyl-2h-chromene-6-carboxylic acid

Structural Information

Molecular Formula
C12H12O3
SMILES
CC1(C=CC2=C(O1)C=CC(=C2)C(=O)O)C
InChI
InChI=1S/C12H12O3/c1-12(2)6-5-8-7-9(11(13)14)3-4-10(8)15-12/h3-7H,1-2H3,(H,13,14)
InChIKey
AXICIBPYBONRSP-UHFFFAOYSA-N
Compound name
2,2-dimethylchromene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

32
Patents

204.07864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 141.5
[M+Na]+ 227.06786 150.6
[M-H]- 203.07136 146.0
[M+NH4]+ 222.11246 162.0
[M+K]+ 243.04180 149.3
[M+H-H2O]+ 187.07590 136.4
[M+HCOO]- 249.07684 161.0
[M+CH3COO]- 263.09249 183.6
[M+Na-2H]- 225.05331 149.5
[M]+ 204.07809 142.8
[M]- 204.07919 142.8
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