CID 768163

154312-63-7

Structural Information

Molecular Formula
C6H8N3
SMILES
C[N+]1=CN(C=C1)CC#N
InChI
InChI=1S/C6H8N3/c1-8-4-5-9(6-8)3-2-7/h4-6H,3H2,1H3/q+1
InChIKey
XQPYWRYOADEREX-UHFFFAOYSA-N
Compound name
2-(3-methylimidazol-3-ium-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

262
Patents

122.07182 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.07910 122.0
[M+Na]+ 145.06104 132.8
[M-H]- 121.06454 122.8
[M+NH4]+ 140.10564 141.0
[M+K]+ 161.03498 126.4
[M+H-H2O]+ 105.06908 110.7
[M+HCOO]- 167.07002 141.5
[M+CH3COO]- 181.08567 177.8
[M+Na-2H]- 143.04649 130.5
[M]+ 122.07127 116.4
[M]- 122.07237 116.4
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