CID 11804695

(1-imidazolyl)acetonitrile

Structural Information

Molecular Formula
C5H5N3
SMILES
C1=CN(C=N1)CC#N
InChI
InChI=1S/C5H5N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,3H2
InChIKey
ZPGCVVBPGQJSPX-UHFFFAOYSA-N
Compound name
2-imidazol-1-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

298
Patents

107.04835 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.055626 116.3
[M+Na]+ 130.037568 126.7
[M-H]- 106.041074 116.6
[M+NH4]+ 125.082173 135.8
[M+K]+ 146.011508 125.3
[M+H-H2O]+ 90.045610 102.3
[M+HCOO]- 152.046551 136.4
[M+CH3COO]- 166.062201 179.9
[M+Na-2H]- 128.023016 123.9
[M]+ 107.04780142 111.2
[M]- 107.04889858 111.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe