CID 2799290

13610-55-4

Structural Information

Molecular Formula
C10H8N2O2
SMILES
C1=CC=C2C(=C1)N(C(=O)O2)CCC#N
InChI
InChI=1S/C10H8N2O2/c11-6-3-7-12-8-4-1-2-5-9(8)14-10(12)13/h1-2,4-5H,3,7H2
InChIKey
CAVKDMJWXRXNJH-UHFFFAOYSA-N
Compound name
3-(2-oxo-1,3-benzoxazol-3-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.05858 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06586 136.8
[M+Na]+ 211.04780 150.2
[M-H]- 187.05130 140.3
[M+NH4]+ 206.09240 155.0
[M+K]+ 227.02174 146.4
[M+H-H2O]+ 171.05584 123.7
[M+HCOO]- 233.05678 157.6
[M+CH3COO]- 247.07243 193.1
[M+Na-2H]- 209.03325 144.6
[M]+ 188.05803 136.3
[M]- 188.05913 136.3
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.