CID 83908885

1781596-14-2

Structural Information

Molecular Formula
C12H14O3
SMILES
CC1(COC2=CC=CC=C2C1C(=O)O)C
InChI
InChI=1S/C12H14O3/c1-12(2)7-15-9-6-4-3-5-8(9)10(12)11(13)14/h3-6,10H,7H2,1-2H3,(H,13,14)
InChIKey
DKLKLTIKSHAMMM-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2,4-dihydrochromene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 143.7
[M+Na]+ 229.08352 156.3
[M+NH4]+ 224.12812 153.7
[M+K]+ 245.05746 149.0
[M-H]- 205.08702 146.9
[M+Na-2H]- 227.06897 149.8
[M]+ 206.09375 146.6
[M]- 206.09485 146.6
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.