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

9
Patents

215.14224 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 155.5
[M+Na]+ 238.13146 162.8
[M-H]- 214.13496 160.5
[M+NH4]+ 233.17606 172.6
[M+K]+ 254.10540 160.9
[M+H-H2O]+ 198.13950 141.8
[M+HCOO]- 260.14044 177.2
[M+CH3COO]- 274.15609 209.8
[M+Na-2H]- 236.11691 161.3
[M]+ 215.14169 151.7
[M]- 215.14279 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