CID 30700

21600-51-1

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]+ 222.12370 149.0
[M+Na]+ 244.10564 155.2
[M-H]- 220.10914 156.8
[M+NH4]+ 239.15024 168.5
[M+K]+ 260.07958 156.3
[M+H-H2O]+ 204.11368 141.0
[M+HCOO]- 266.11462 179.3
[M+CH3COO]- 280.13027 203.9
[M+Na-2H]- 242.09109 155.2
[M]+ 221.11587 153.4
[M]- 221.11697 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.