CID 391476

Nsc690681

Structural Information

Molecular Formula
C7H7N3O2
SMILES
CC1=NC(=C(O1)NC(=O)C)C#N
InChI
InChI=1S/C7H7N3O2/c1-4(11)9-7-6(3-8)10-5(2)12-7/h1-2H3,(H,9,11)
InChIKey
GUAYFSRGPXLNNQ-UHFFFAOYSA-N
Compound name
N-(4-cyano-2-methyl-1,3-oxazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.05383 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06111 132.1
[M+Na]+ 188.04305 142.6
[M-H]- 164.04655 134.8
[M+NH4]+ 183.08765 149.6
[M+K]+ 204.01699 142.4
[M+H-H2O]+ 148.05109 118.8
[M+HCOO]- 210.05203 152.5
[M+CH3COO]- 224.06768 192.1
[M+Na-2H]- 186.02850 137.2
[M]+ 165.05328 128.9
[M]- 165.05438 128.9
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.