CID 78581

4-methyloxazole-5-carboxamide

Structural Information

Molecular Formula
C5H6N2O2
SMILES
CC1=C(OC=N1)C(=O)N
InChI
InChI=1S/C5H6N2O2/c1-3-4(5(6)8)9-2-7-3/h2H,1H3,(H2,6,8)
InChIKey
HBKBZJZRIWAICY-UHFFFAOYSA-N
Compound name
4-methyl-1,3-oxazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

126.04293 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05021 121.9
[M+Na]+ 149.03215 131.0
[M-H]- 125.03565 125.0
[M+NH4]+ 144.07675 142.8
[M+K]+ 165.00609 131.5
[M+H-H2O]+ 109.04019 116.0
[M+HCOO]- 171.04113 146.3
[M+CH3COO]- 185.05678 171.1
[M+Na-2H]- 147.01760 128.1
[M]+ 126.04238 122.2
[M]- 126.04348 122.2
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