CID 389347

Nsc685300

Structural Information

Molecular Formula
C7H8N4O2
SMILES
CC(=O)NCC1=NC(=C(O1)N)C#N
InChI
InChI=1S/C7H8N4O2/c1-4(12)10-3-6-11-5(2-8)7(9)13-6/h3,9H2,1H3,(H,10,12)
InChIKey
HNZHOONMJKYQQB-UHFFFAOYSA-N
Compound name
N-[(5-amino-4-cyano-1,3-oxazol-2-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.06473 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07201 137.7
[M+Na]+ 203.05395 147.1
[M-H]- 179.05745 139.7
[M+NH4]+ 198.09855 153.9
[M+K]+ 219.02789 146.8
[M+H-H2O]+ 163.06199 123.7
[M+HCOO]- 225.06293 158.2
[M+CH3COO]- 239.07858 196.2
[M+Na-2H]- 201.03940 141.9
[M]+ 180.06418 132.7
[M]- 180.06528 132.7
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.