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]+ 187.097826 140.8
[M+Na]+ 209.079768 153.4
[M-H]- 185.083274 141.9
[M+NH4]+ 204.124373 158.5
[M+K]+ 225.053708 148.4
[M+H-H2O]+ 169.087810 126.7
[M+HCOO]- 231.088751 160.7
[M+CH3COO]- 245.104401 152.7
[M+Na-2H]- 207.065216 146.4
[M]+ 186.09000142 136.8
[M]- 186.09109858 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.