CID 90107

23456-95-3

Structural Information

Molecular Formula
C9H10N4
SMILES
CN(C)N=NC1=CC=C(C=C1)C#N
InChI
InChI=1S/C9H10N4/c1-13(2)12-11-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3
InChIKey
RBUDTHMFOGHSOD-UHFFFAOYSA-N
Compound name
4-(dimethylaminodiazenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

174.09055 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09783 139.4
[M+Na]+ 197.07977 148.1
[M-H]- 173.08327 146.0
[M+NH4]+ 192.12437 158.3
[M+K]+ 213.05371 147.7
[M+H-H2O]+ 157.08781 125.3
[M+HCOO]- 219.08875 165.7
[M+CH3COO]- 233.10440 206.5
[M+Na-2H]- 195.06522 146.7
[M]+ 174.09000 136.0
[M]- 174.09110 136.0
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.