CID 16211836

934047-83-3

Structural Information

Molecular Formula
C7H7N4
SMILES
C1=C[N+](=CN1CC#N)CC#N
InChI
InChI=1S/C7H7N4/c8-1-3-10-5-6-11(7-10)4-2-9/h5-7H,3-4H2/q+1
InChIKey
BBSKEBLUGHJTIK-UHFFFAOYSA-N
Compound name
2-[3-(cyanomethyl)imidazol-3-ium-1-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

147.06708 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.074356 141.1
[M+Na]+ 170.056298 150.7
[M-H]- 146.059804 142.0
[M+NH4]+ 165.100903 153.8
[M+K]+ 186.030238 145.0
[M+H-H2O]+ 130.064340 125.8
[M+HCOO]- 192.065281 152.9
[M+CH3COO]- 206.080931 205.6
[M+Na-2H]- 168.041746 145.5
[M]+ 147.06653142 132.5
[M]- 147.06762858 132.5
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