CID 23569274

747409-26-3

Structural Information

Molecular Formula
C9H11N3
SMILES
CN1C=NC2=C1C=CC(=C2)CN
InChI
InChI=1S/C9H11N3/c1-12-6-11-8-4-7(5-10)2-3-9(8)12/h2-4,6H,5,10H2,1H3
InChIKey
DWRIYGGJCVRRHI-UHFFFAOYSA-N
Compound name
(1-methylbenzimidazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

161.09529 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.102566 131.8
[M+Na]+ 184.084508 142.8
[M-H]- 160.088014 134.2
[M+NH4]+ 179.129113 152.9
[M+K]+ 200.058448 139.3
[M+H-H2O]+ 144.092550 124.8
[M+HCOO]- 206.093491 156.4
[M+CH3COO]- 220.109141 146.2
[M+Na-2H]- 182.069956 139.6
[M]+ 161.09474142 132.9
[M]- 161.09583858 132.9
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