CID 374075

Nsc651335

Structural Information

Molecular Formula
C12H17N3O2
SMILES
CCOC(=O)C1=CC(=C(C=C1)C)N=NN(C)C
InChI
InChI=1S/C12H17N3O2/c1-5-17-12(16)10-7-6-9(2)11(8-10)13-14-15(3)4/h6-8H,5H2,1-4H3
InChIKey
KBMHHFCMMQOGQK-UHFFFAOYSA-N
Compound name
ethyl 3-(dimethylaminodiazenyl)-4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.13208 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 153.4
[M+Na]+ 258.12130 160.1
[M-H]- 234.12480 161.4
[M+NH4]+ 253.16590 172.6
[M+K]+ 274.09524 161.0
[M+H-H2O]+ 218.12934 145.5
[M+HCOO]- 280.13028 183.3
[M+CH3COO]- 294.14593 208.1
[M+Na-2H]- 256.10675 158.4
[M]+ 235.13153 158.6
[M]- 235.13263 158.6
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.