CID 16227949

4-(2-amino-1,3-thiazol-4-yl)-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C8H7N3O2S
SMILES
C1=C(NC=C1C2=CSC(=N2)N)C(=O)O
InChI
InChI=1S/C8H7N3O2S/c9-8-11-6(3-14-8)4-1-5(7(12)13)10-2-4/h1-3,10H,(H2,9,11)(H,12,13)
InChIKey
BBQCPOHKJHYDFG-UHFFFAOYSA-N
Compound name
4-(2-amino-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0259 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.033176 141.7
[M+Na]+ 232.015118 152.2
[M-H]- 208.018624 144.8
[M+NH4]+ 227.059723 160.4
[M+K]+ 247.989058 148.1
[M+H-H2O]+ 192.023160 135.4
[M+HCOO]- 254.024101 160.5
[M+CH3COO]- 268.039751 154.7
[M+Na-2H]- 230.000566 141.8
[M]+ 209.02535142 142.2
[M]- 209.02644858 142.2
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.