CID 63990749

1421601-94-6

Structural Information

Molecular Formula
C11H10N4
SMILES
C1=CC(=CC(=C1)C2=CN=C(N2)CN)C#N
InChI
InChI=1S/C11H10N4/c12-5-8-2-1-3-9(4-8)10-7-14-11(6-13)15-10/h1-4,7H,6,13H2,(H,14,15)
InChIKey
KCHJCXOGAUWIMR-UHFFFAOYSA-N
Compound name
3-[2-(aminomethyl)-1H-imidazol-5-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.09055 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.097826 145.2
[M+Na]+ 221.079768 155.2
[M-H]- 197.083274 146.4
[M+NH4]+ 216.124373 160.2
[M+K]+ 237.053708 149.6
[M+H-H2O]+ 181.087810 130.1
[M+HCOO]- 243.088751 163.6
[M+CH3COO]- 257.104401 155.6
[M+Na-2H]- 219.065216 149.1
[M]+ 198.09000142 137.0
[M]- 198.09109858 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

No patent data available for this compound.