CID 30700

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

Structural Information

Molecular Formula
C11H15N3O2
SMILES
CCOC(=O)C1=CC=C(C=C1)N=NN(C)C
InChI
InChI=1S/C11H15N3O2/c1-4-16-11(15)9-5-7-10(8-6-9)12-13-14(2)3/h5-8H,4H2,1-3H3
InChIKey
PDOLRHLZGYQIGP-UHFFFAOYSA-N
Compound name
ethyl 4-(dimethylaminodiazenyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

221.11642 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.123696 149.0
[M+Na]+ 244.105638 155.2
[M-H]- 220.109144 156.8
[M+NH4]+ 239.150243 168.5
[M+K]+ 260.079578 156.3
[M+H-H2O]+ 204.113680 141.0
[M+HCOO]- 266.114621 179.3
[M+CH3COO]- 280.130271 203.9
[M+Na-2H]- 242.091086 155.2
[M]+ 221.11587142 153.4
[M]- 221.11696858 153.4
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

No patent data available for this compound.