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]+ 175.097826 139.4
[M+Na]+ 197.079768 148.1
[M-H]- 173.083274 146.0
[M+NH4]+ 192.124373 158.3
[M+K]+ 213.053708 147.7
[M+H-H2O]+ 157.087810 125.3
[M+HCOO]- 219.088751 165.7
[M+CH3COO]- 233.104401 206.5
[M+Na-2H]- 195.065216 146.7
[M]+ 174.09000142 136.0
[M]- 174.09109858 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.