CID 20329435

2-(1-ethyl-1h-imidazol-2-yl)acetonitrile

Structural Information

Molecular Formula
C7H9N3
SMILES
CCN1C=CN=C1CC#N
InChI
InChI=1S/C7H9N3/c1-2-10-6-5-9-7(10)3-4-8/h5-6H,2-3H2,1H3
InChIKey
LDTYEUBXAVXINI-UHFFFAOYSA-N
Compound name
2-(1-ethylimidazol-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

135.07965 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.08693 124.0
[M+Na]+ 158.06887 134.5
[M-H]- 134.07237 124.4
[M+NH4]+ 153.11347 142.8
[M+K]+ 174.04281 132.6
[M+H-H2O]+ 118.07691 110.1
[M+HCOO]- 180.07785 143.5
[M+CH3COO]- 194.09350 186.3
[M+Na-2H]- 156.05432 130.0
[M]+ 135.07910 120.0
[M]- 135.08020 120.0
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