CID 71757577

1423023-96-4

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CC1=C(C(=CN1)NC(=O)C)C(=O)O
InChI
InChI=1S/C8H10N2O3/c1-4-7(8(12)13)6(3-9-4)10-5(2)11/h3,9H,1-2H3,(H,10,11)(H,12,13)
InChIKey
TVORFSVQAWZXBW-UHFFFAOYSA-N
Compound name
4-acetamido-2-methyl-1H-pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06914 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 138.1
[M+Na]+ 205.058358 145.8
[M-H]- 181.061864 138.4
[M+NH4]+ 200.102963 156.9
[M+K]+ 221.032298 143.8
[M+H-H2O]+ 165.066400 132.3
[M+HCOO]- 227.067341 159.4
[M+CH3COO]- 241.082991 178.6
[M+Na-2H]- 203.043806 140.0
[M]+ 182.06859142 136.5
[M]- 182.06968858 136.5
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

No patent data available for this compound.