CID 49761715

Oxazole-4-carbohydrazide

Structural Information

Molecular Formula
C4H5N3O2
SMILES
C1=C(N=CO1)C(=O)NN
InChI
InChI=1S/C4H5N3O2/c5-7-4(8)3-1-9-2-6-3/h1-2H,5H2,(H,7,8)
InChIKey
BJKXXQQGEZGQSQ-UHFFFAOYSA-N
Compound name
1,3-oxazole-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

127.03818 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.04546 121.5
[M+Na]+ 150.02740 129.2
[M-H]- 126.03090 124.4
[M+NH4]+ 145.07200 141.6
[M+K]+ 166.00134 129.9
[M+H-H2O]+ 110.03544 114.8
[M+HCOO]- 172.03638 147.2
[M+CH3COO]- 186.05203 171.3
[M+Na-2H]- 148.01285 129.3
[M]+ 127.03763 120.2
[M]- 127.03873 120.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe