CID 71757632

1379351-42-4

Structural Information

Molecular Formula
C10H10N4
SMILES
CCN1C2=C(C=C(C=C2)C#N)N=C1N
InChI
InChI=1S/C10H10N4/c1-2-14-9-4-3-7(6-11)5-8(9)13-10(14)12/h3-5H,2H2,1H3,(H2,12,13)
InChIKey
AYDFJWBVRKLCCC-UHFFFAOYSA-N
Compound name
2-amino-1-ethylbenzimidazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.09055 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09783 140.8
[M+Na]+ 209.07977 153.4
[M-H]- 185.08327 141.9
[M+NH4]+ 204.12437 158.5
[M+K]+ 225.05371 148.4
[M+H-H2O]+ 169.08781 126.7
[M+HCOO]- 231.08875 160.7
[M+CH3COO]- 245.10440 152.7
[M+Na-2H]- 207.06522 146.4
[M]+ 186.09000 136.8
[M]- 186.09110 136.8
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

No patent data available for this compound.