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

25
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 137.0
[M+Na]+ 219.02639 144.8
[M-H]- 195.02989 139.7
[M+NH4]+ 214.07099 155.6
[M+K]+ 235.00033 144.6
[M+H-H2O]+ 179.03443 131.3
[M+HCOO]- 241.03537 159.6
[M+CH3COO]- 255.05102 178.8
[M+Na-2H]- 217.01184 141.7
[M]+ 196.03662 139.8
[M]- 196.03772 139.8
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

patents stripe