CID 3040525

1-(4-butoxyphenyl)-3,3-dimethyl-1-triazene

Structural Information

Molecular Formula
C12H19N3O
SMILES
CCCCOC1=CC=C(C=C1)N=NN(C)C
InChI
InChI=1S/C12H19N3O/c1-4-5-10-16-12-8-6-11(7-9-12)13-14-15(2)3/h6-9H,4-5,10H2,1-3H3
InChIKey
YQXQDFISMKODTD-UHFFFAOYSA-N
Compound name
N-[(4-butoxyphenyl)diazenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.15282 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.16010 151.1
[M+Na]+ 244.14204 156.8
[M-H]- 220.14554 158.6
[M+NH4]+ 239.18664 170.7
[M+K]+ 260.11598 157.2
[M+H-H2O]+ 204.15008 142.9
[M+HCOO]- 266.15102 181.6
[M+CH3COO]- 280.16667 205.5
[M+Na-2H]- 242.12749 158.0
[M]+ 221.15227 155.9
[M]- 221.15337 155.9
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

No patent data available for this compound.