CID 87281

17744-98-8

Structural Information

Molecular Formula
C9H7N3
SMILES
C1=CC2=NC=C(N2C=C1)CC#N
InChI
InChI=1S/C9H7N3/c10-5-4-8-7-11-9-3-1-2-6-12(8)9/h1-3,6-7H,4H2
InChIKey
PJWDPOBWIWWXCP-UHFFFAOYSA-N
Compound name
2-imidazo[1,2-a]pyridin-3-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

157.064 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.071276 131.2
[M+Na]+ 180.053218 143.6
[M-H]- 156.056724 132.3
[M+NH4]+ 175.097823 150.0
[M+K]+ 196.027158 138.7
[M+H-H2O]+ 140.061260 117.0
[M+HCOO]- 202.062201 151.2
[M+CH3COO]- 216.077851 143.8
[M+Na-2H]- 178.038666 139.2
[M]+ 157.06345142 127.8
[M]- 157.06454858 127.8
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

patents stripe