CID 389297

Nsc685117

Structural Information

Molecular Formula
C7H7N3O
SMILES
CC(=C)C1=NC(=C(O1)N)C#N
InChI
InChI=1S/C7H7N3O/c1-4(2)7-10-5(3-8)6(9)11-7/h1,9H2,2H3
InChIKey
NOPYWSARKNNISR-UHFFFAOYSA-N
Compound name
5-amino-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.05891 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.066186 130.5
[M+Na]+ 172.048128 141.1
[M-H]- 148.051634 132.8
[M+NH4]+ 167.092733 148.4
[M+K]+ 188.022068 140.0
[M+H-H2O]+ 132.056170 117.3
[M+HCOO]- 194.057111 150.1
[M+CH3COO]- 208.072761 190.3
[M+Na-2H]- 170.033576 134.6
[M]+ 149.05836142 125.2
[M]- 149.05945858 125.2
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.