CID 145820

5805-57-2

Structural Information

Molecular Formula
C8H9N3
SMILES
C1=CC=C2C(=C1)NC(=N2)CN
InChI
InChI=1S/C8H9N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2,(H,10,11)
InChIKey
UCOSRTUSVXHIMK-UHFFFAOYSA-N
Compound name
1H-benzimidazol-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

1785
Patents

147.07965 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.086926 127.1
[M+Na]+ 170.068868 137.2
[M-H]- 146.072374 127.9
[M+NH4]+ 165.113473 147.7
[M+K]+ 186.042808 133.1
[M+H-H2O]+ 130.076910 120.4
[M+HCOO]- 192.077851 150.5
[M+CH3COO]- 206.093501 140.9
[M+Na-2H]- 168.054316 135.8
[M]+ 147.07910142 125.6
[M]- 147.08019858 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe