CID 305590

35261-01-9

Structural Information

Molecular Formula
C5H5N3O
SMILES
CC1=NOC(=C1C#N)N
InChI
InChI=1S/C5H5N3O/c1-3-4(2-6)5(7)9-8-3/h7H2,1H3
InChIKey
HWUGKLXAHRZZPN-UHFFFAOYSA-N
Compound name
5-amino-3-methyl-1,2-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

35
Patents

123.04326 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.05054 124.2
[M+Na]+ 146.03248 135.0
[M+NH4]+ 141.07708 128.6
[M+K]+ 162.00642 129.2
[M-H]- 122.03598 119.1
[M+Na-2H]- 144.01793 126.8
[M]+ 123.04271 123.3
[M]- 123.04381 123.3
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