CID 11543162

1-(3-cyanopropyl)-3-methylimidazolium chloride

Structural Information

Molecular Formula
C8H12N3
SMILES
C[N+]1=CN(C=C1)CCCC#N
InChI
InChI=1S/C8H12N3/c1-10-6-7-11(8-10)5-3-2-4-9/h6-8H,2-3,5H2,1H3/q+1
InChIKey
SROUAIZIOIOQID-UHFFFAOYSA-N
Compound name
4-(3-methylimidazol-3-ium-1-yl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

477
Patents

150.10312 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11040 130.1
[M+Na]+ 173.09234 140.2
[M-H]- 149.09584 130.7
[M+NH4]+ 168.13694 148.1
[M+K]+ 189.06628 133.3
[M+H-H2O]+ 133.10038 118.5
[M+HCOO]- 195.10132 149.1
[M+CH3COO]- 209.11697 183.2
[M+Na-2H]- 171.07779 137.6
[M]+ 150.10257 125.2
[M]- 150.10367 125.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe