CID 55288045

2-(1h-imidazol-4-yl)-2-methylpropanenitrile

Structural Information

Molecular Formula
C7H9N3
SMILES
CC(C)(C#N)C1=CN=CN1
InChI
InChI=1S/C7H9N3/c1-7(2,4-8)6-3-9-5-10-6/h3,5H,1-2H3,(H,9,10)
InChIKey
ABQAPKYDDFHBEG-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-5-yl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

135.07965 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.08693 130.4
[M+Na]+ 158.06887 139.9
[M-H]- 134.07237 129.5
[M+NH4]+ 153.11347 148.3
[M+K]+ 174.04281 137.7
[M+H-H2O]+ 118.07691 116.9
[M+HCOO]- 180.07785 147.0
[M+CH3COO]- 194.09350 183.1
[M+Na-2H]- 156.05432 136.6
[M]+ 135.07910 123.7
[M]- 135.08020 123.7
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