CID 55288045

21150-00-5

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

8
Patents

135.07965 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.086926 130.4
[M+Na]+ 158.068868 139.9
[M-H]- 134.072374 129.5
[M+NH4]+ 153.113473 148.3
[M+K]+ 174.042808 137.7
[M+H-H2O]+ 118.076910 116.9
[M+HCOO]- 180.077851 147.0
[M+CH3COO]- 194.093501 183.1
[M+Na-2H]- 156.054316 136.6
[M]+ 135.07910142 123.7
[M]- 135.08019858 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