CID 54380189

N-methyl-1h-1,3-benzodiazol-4-amine

Structural Information

Molecular Formula
C8H9N3
SMILES
CNC1=CC=CC2=C1N=CN2
InChI
InChI=1S/C8H9N3/c1-9-6-3-2-4-7-8(6)11-5-10-7/h2-5,9H,1H3,(H,10,11)
InChIKey
UZISZGOHRVXCLK-UHFFFAOYSA-N
Compound name
N-methyl-1H-benzimidazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

147.07965 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.08693 126.7
[M+Na]+ 170.06887 136.8
[M-H]- 146.07237 128.0
[M+NH4]+ 165.11347 147.6
[M+K]+ 186.04281 133.0
[M+H-H2O]+ 130.07691 119.9
[M+HCOO]- 192.07785 150.8
[M+CH3COO]- 206.09350 140.8
[M+Na-2H]- 168.05432 136.5
[M]+ 147.07910 126.2
[M]- 147.08020 126.2
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