CID 392920

Nsc694104

Structural Information

Molecular Formula
C9H8N2O3
SMILES
CC1=NOC(=C1)C2=CC=C(N2)C(=O)O
InChI
InChI=1S/C9H8N2O3/c1-5-4-8(14-11-5)6-2-3-7(10-6)9(12)13/h2-4,10H,1H3,(H,12,13)
InChIKey
OETMYTKMPUTIEZ-UHFFFAOYSA-N
Compound name
5-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0535 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 136.9
[M+Na]+ 215.04272 147.2
[M-H]- 191.04622 140.5
[M+NH4]+ 210.08732 154.7
[M+K]+ 231.01666 145.4
[M+H-H2O]+ 175.05076 130.5
[M+HCOO]- 237.05170 159.2
[M+CH3COO]- 251.06735 175.8
[M+Na-2H]- 213.02817 140.6
[M]+ 192.05295 138.9
[M]- 192.05405 138.9
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.