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]+ 183.07642 138.1
[M+Na]+ 205.05836 145.8
[M-H]- 181.06186 138.4
[M+NH4]+ 200.10296 156.9
[M+K]+ 221.03230 143.8
[M+H-H2O]+ 165.06640 132.3
[M+HCOO]- 227.06734 159.4
[M+CH3COO]- 241.08299 178.6
[M+Na-2H]- 203.04381 140.0
[M]+ 182.06859 136.5
[M]- 182.06969 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.