CID 371301

Nsc645375

Structural Information

Molecular Formula
C9H10N4
SMILES
C1=CC=C2C(=C1)N=CN2CC(=N)N
InChI
InChI=1S/C9H10N4/c10-9(11)5-13-6-12-7-3-1-2-4-8(7)13/h1-4,6H,5H2,(H3,10,11)
InChIKey
IXHIONRUTYJFRM-UHFFFAOYSA-N
Compound name
2-(benzimidazol-1-yl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

174.09055 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.097826 134.3
[M+Na]+ 197.079768 143.4
[M-H]- 173.083274 136.5
[M+NH4]+ 192.124373 154.1
[M+K]+ 213.053708 139.9
[M+H-H2O]+ 157.087810 126.8
[M+HCOO]- 219.088751 159.1
[M+CH3COO]- 233.104401 147.7
[M+Na-2H]- 195.065216 142.3
[M]+ 174.09000142 133.0
[M]- 174.09109858 133.0
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

No patent data available for this compound.