CID 19623161

1006454-88-1

Structural Information

Molecular Formula
C9H11N3O3
SMILES
CC1=NN(C=C1C2=NOC(C2)C(=O)O)C
InChI
InChI=1S/C9H11N3O3/c1-5-6(4-12(2)10-5)7-3-8(9(13)14)15-11-7/h4,8H,3H2,1-2H3,(H,13,14)
InChIKey
QUVWSZLZALZWSQ-UHFFFAOYSA-N
Compound name
3-(1,3-dimethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08005 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08733 143.4
[M+Na]+ 232.06927 153.0
[M-H]- 208.07277 146.6
[M+NH4]+ 227.11387 160.0
[M+K]+ 248.04321 152.4
[M+H-H2O]+ 192.07731 136.2
[M+HCOO]- 254.07825 163.0
[M+CH3COO]- 268.09390 183.0
[M+Na-2H]- 230.05472 144.7
[M]+ 209.07950 145.3
[M]- 209.08060 145.3
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.