CID 729500

25184-09-2

Structural Information

Molecular Formula
C11H11N3
SMILES
CCN1C2=CC=CC=C2N=C1CC#N
InChI
InChI=1S/C11H11N3/c1-2-14-10-6-4-3-5-9(10)13-11(14)7-8-12/h3-6H,2,7H2,1H3
InChIKey
LMKZNSKYLAQXJH-UHFFFAOYSA-N
Compound name
2-(1-ethylbenzimidazol-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

185.09529 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.102566 139.3
[M+Na]+ 208.084508 151.8
[M-H]- 184.088014 140.6
[M+NH4]+ 203.129113 157.5
[M+K]+ 224.058448 146.5
[M+H-H2O]+ 168.092550 125.1
[M+HCOO]- 230.093491 158.8
[M+CH3COO]- 244.109141 151.5
[M+Na-2H]- 206.069956 145.8
[M]+ 185.09474142 137.0
[M]- 185.09583858 137.0
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