CID 471683

2-methoxyanofinic acid, methyl ester

Structural Information

Molecular Formula
C14H18O4
SMILES
CC1(CCC2=CC(=C(C=C2O1)OC)C(=O)OC)C
InChI
InChI=1S/C14H18O4/c1-14(2)6-5-9-7-10(13(15)17-4)12(16-3)8-11(9)18-14/h7-8H,5-6H2,1-4H3
InChIKey
HLBNZABFXIWDMM-UHFFFAOYSA-N
Compound name
methyl 7-methoxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.12051 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12779 153.9
[M+Na]+ 273.10973 162.3
[M-H]- 249.11323 159.4
[M+NH4]+ 268.15433 173.4
[M+K]+ 289.08367 162.3
[M+H-H2O]+ 233.11777 148.3
[M+HCOO]- 295.11871 172.9
[M+CH3COO]- 309.13436 195.2
[M+Na-2H]- 271.09518 159.8
[M]+ 250.11996 158.1
[M]- 250.12106 158.1
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

No patent data available for this compound.