CID 22052335

1224685-22-6

Structural Information

Molecular Formula
C8H9N3
SMILES
CNC1=CC2=C(C=C1)N=CN2
InChI
InChI=1S/C8H9N3/c1-9-6-2-3-7-8(4-6)11-5-10-7/h2-5,9H,1H3,(H,10,11)
InChIKey
NTJGYOSVPMSUGK-UHFFFAOYSA-N
Compound name
N-methyl-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

147.07965 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.08693 127.3
[M+Na]+ 170.06887 140.5
[M+NH4]+ 165.11347 136.3
[M+K]+ 186.04281 135.6
[M-H]- 146.07237 129.2
[M+Na-2H]- 168.05432 134.9
[M]+ 147.07910 129.6
[M]- 147.08020 129.6
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