CID 118157

Einecs 251-970-9

Structural Information

Molecular Formula
C13H17N3
SMILES
CC(C)CC(C)(C#N)N=NC1=CC=CC=C1
InChI
InChI=1S/C13H17N3/c1-11(2)9-13(3,10-14)16-15-12-7-5-4-6-8-12/h4-8,11H,9H2,1-3H3
InChIKey
JAENQWGSDBWVSP-UHFFFAOYSA-N
Compound name
2,4-dimethyl-2-phenyldiazenylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

215.14224 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 155.5
[M+Na]+ 238.131458 162.8
[M-H]- 214.134964 160.5
[M+NH4]+ 233.176063 172.6
[M+K]+ 254.105398 160.9
[M+H-H2O]+ 198.139500 141.8
[M+HCOO]- 260.140441 177.2
[M+CH3COO]- 274.156091 209.8
[M+Na-2H]- 236.116906 161.3
[M]+ 215.14169142 151.7
[M]- 215.14278858 151.7
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