CID 26579

Carbonic acid, methyl ester, ester with salicylic acid

Structural Information

Molecular Formula
C9H8O5
SMILES
COC(=O)OC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C9H8O5/c1-13-9(12)14-7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)
InChIKey
IIHSMXMTENPGDE-UHFFFAOYSA-N
Compound name
2-methoxycarbonyloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

196.03717 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04445 138.7
[M+Na]+ 219.02639 149.5
[M+NH4]+ 214.07099 144.9
[M+K]+ 235.00033 146.1
[M-H]- 195.02989 138.1
[M+Na-2H]- 217.01184 143.4
[M]+ 196.03662 139.7
[M]- 196.03772 139.7
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

patents stripe