CID 98546

1-ethyl-3-p-tolyltriazene

Structural Information

Molecular Formula
C9H13N3
SMILES
CCN=NNC1=CC=C(C=C1)C
InChI
InChI=1S/C9H13N3/c1-3-10-12-11-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,10,11)
InChIKey
BPOZIJBDYFHEJR-UHFFFAOYSA-N
Compound name
N-(ethyldiazenyl)-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

548
Patents

163.11095 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.11823 133.4
[M+Na]+ 186.10017 140.3
[M-H]- 162.10367 139.9
[M+NH4]+ 181.14477 154.8
[M+K]+ 202.07411 139.6
[M+H-H2O]+ 146.10821 126.3
[M+HCOO]- 208.10915 164.2
[M+CH3COO]- 222.12480 190.9
[M+Na-2H]- 184.08562 142.8
[M]+ 163.11040 134.4
[M]- 163.11150 134.4
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