CID 3481453

3-butyl-1-p-tolyltriazene

Structural Information

Molecular Formula
C11H17N3
SMILES
CCCCN=NNC1=CC=C(C=C1)C
InChI
InChI=1S/C11H17N3/c1-3-4-9-12-14-13-11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,12,13)
InChIKey
DBHFMKOBJOOXCA-UHFFFAOYSA-N
Compound name
N-(butyldiazenyl)-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

191.14224 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.14952 142.5
[M+Na]+ 214.13146 148.6
[M-H]- 190.13496 148.7
[M+NH4]+ 209.17606 162.8
[M+K]+ 230.10540 147.4
[M+H-H2O]+ 174.13950 135.0
[M+HCOO]- 236.14044 172.7
[M+CH3COO]- 250.15609 197.0
[M+Na-2H]- 212.11691 150.8
[M]+ 191.14169 144.3
[M]- 191.14279 144.3
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