CID 12459972

1199-64-0

Structural Information

Molecular Formula
C7H7NO4
SMILES
COC(=O)C1=CC=C(N1)C(=O)O
InChI
InChI=1S/C7H7NO4/c1-12-7(11)5-3-2-4(8-5)6(9)10/h2-3,8H,1H3,(H,9,10)
InChIKey
RSCFOPAKJCCZNX-UHFFFAOYSA-N
Compound name
5-methoxycarbonyl-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

169.0375 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 134.2
[M+Na]+ 192.02672 143.0
[M+NH4]+ 187.07132 139.7
[M+K]+ 208.00066 142.3
[M-H]- 168.03022 131.8
[M+Na-2H]- 190.01217 136.7
[M]+ 169.03695 134.2
[M]- 169.03805 134.2
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