CID 370162

50764-81-3

Structural Information

Molecular Formula
C12H10O4
SMILES
CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)O
InChI
InChI=1S/C12H10O4/c1-7-2-3-9-8(5-11(13)14)6-12(15)16-10(9)4-7/h2-4,6H,5H2,1H3,(H,13,14)
InChIKey
VDQLZKYCWITDPF-UHFFFAOYSA-N
Compound name
2-(7-methyl-2-oxochromen-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

218.0579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 142.0
[M+Na]+ 241.04712 152.1
[M-H]- 217.05062 146.9
[M+NH4]+ 236.09172 160.1
[M+K]+ 257.02106 150.5
[M+H-H2O]+ 201.05516 136.3
[M+HCOO]- 263.05610 163.3
[M+CH3COO]- 277.07175 186.4
[M+Na-2H]- 239.03257 149.2
[M]+ 218.05735 145.6
[M]- 218.05845 145.6
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