CID 93079

13472-08-7

Structural Information

Molecular Formula
C10H16N4
SMILES
CCC(C)(C#N)N=NC(C)(CC)C#N
InChI
InChI=1S/C10H16N4/c1-5-9(3,7-11)13-14-10(4,6-2)8-12/h5-6H2,1-4H3
InChIKey
AVTLBBWTUPQRAY-UHFFFAOYSA-N
Compound name
2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

53546
Patents

192.1375 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.144776 160.3
[M+Na]+ 215.126718 167.4
[M-H]- 191.130224 163.8
[M+NH4]+ 210.171323 173.4
[M+K]+ 231.100658 168.0
[M+H-H2O]+ 175.134760 145.3
[M+HCOO]- 237.135701 173.3
[M+CH3COO]- 251.151351 223.7
[M+Na-2H]- 213.112166 163.4
[M]+ 192.13695142 153.9
[M]- 192.13804858 153.9
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

patents stripe