CID 21149508

2-isopropyl-1h-imidazole-1-propiononitrile

Structural Information

Molecular Formula
C9H13N3
SMILES
CC(C)C1=NC=CN1CCC#N
InChI
InChI=1S/C9H13N3/c1-8(2)9-11-5-7-12(9)6-3-4-10/h5,7-8H,3,6H2,1-2H3
InChIKey
SIALAAQDYFPPFQ-UHFFFAOYSA-N
Compound name
3-(2-propan-2-ylimidazol-1-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

264
Patents

163.11095 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.118226 133.4
[M+Na]+ 186.100168 142.9
[M-H]- 162.103674 133.6
[M+NH4]+ 181.144773 151.1
[M+K]+ 202.074108 140.9
[M+H-H2O]+ 146.108210 119.2
[M+HCOO]- 208.109151 151.4
[M+CH3COO]- 222.124801 192.4
[M+Na-2H]- 184.085616 137.3
[M]+ 163.11040142 129.4
[M]- 163.11149858 129.4
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