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 143.0
[M+Na]+ 229.08352 151.0
[M-H]- 205.08702 147.1
[M+NH4]+ 224.12812 163.3
[M+K]+ 245.05746 149.9
[M+H-H2O]+ 189.09156 137.9
[M+HCOO]- 251.09250 161.0
[M+CH3COO]- 265.10815 183.9
[M+Na-2H]- 227.06897 150.0
[M]+ 206.09375 142.8
[M]- 206.09485 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.