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]+ 222.160096 151.1
[M+Na]+ 244.142038 156.8
[M-H]- 220.145544 158.6
[M+NH4]+ 239.186643 170.7
[M+K]+ 260.115978 157.2
[M+H-H2O]+ 204.150080 142.9
[M+HCOO]- 266.151021 181.6
[M+CH3COO]- 280.166671 205.5
[M+Na-2H]- 242.127486 158.0
[M]+ 221.15227142 155.9
[M]- 221.15336858 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.