CID 22052335

N-methyl-1h-1,3-benzodiazol-5-amine

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

49
Patents

147.07965 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.086926 126.7
[M+Na]+ 170.068868 136.8
[M-H]- 146.072374 128.0
[M+NH4]+ 165.113473 147.6
[M+K]+ 186.042808 133.0
[M+H-H2O]+ 130.076910 119.9
[M+HCOO]- 192.077851 150.8
[M+CH3COO]- 206.093501 140.8
[M+Na-2H]- 168.054316 136.5
[M]+ 147.07910142 126.2
[M]- 147.08019858 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