CID 388579

Nsc683591

Structural Information

Molecular Formula
C10H13N5
SMILES
CC1=NC2=C(N1)C=C(C=C2)N=NN(C)C
InChI
InChI=1S/C10H13N5/c1-7-11-9-5-4-8(6-10(9)12-7)13-14-15(2)3/h4-6H,1-3H3,(H,11,12)
InChIKey
VADKDILSAFKYEB-UHFFFAOYSA-N
Compound name
N-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)diazenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

203.1171 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12438 142.2
[M+Na]+ 226.10632 151.8
[M-H]- 202.10982 147.8
[M+NH4]+ 221.15092 162.4
[M+K]+ 242.08026 150.1
[M+H-H2O]+ 186.11436 133.7
[M+HCOO]- 248.11530 171.3
[M+CH3COO]- 262.13095 198.3
[M+Na-2H]- 224.09177 151.3
[M]+ 203.11655 145.5
[M]- 203.11765 145.5
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

No patent data available for this compound.