CID 150604266

2758000-41-6

Structural Information

Molecular Formula
C7H7NO4
SMILES
COC(=O)C1=C(C=CN1)C(=O)O
InChI
InChI=1S/C7H7NO4/c1-12-7(11)5-4(6(9)10)2-3-8-5/h2-3,8H,1H3,(H,9,10)
InChIKey
ISNPXPHPMZIMBP-UHFFFAOYSA-N
Compound name
2-methoxycarbonyl-1H-pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

169.0375 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.044776 132.5
[M+Na]+ 192.026718 140.5
[M-H]- 168.030224 132.6
[M+NH4]+ 187.071323 151.8
[M+K]+ 208.000658 139.3
[M+H-H2O]+ 152.034760 126.9
[M+HCOO]- 214.035701 153.4
[M+CH3COO]- 228.051351 171.4
[M+Na-2H]- 190.012166 135.3
[M]+ 169.03695142 132.4
[M]- 169.03804858 132.4
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