CID 374076

Nsc651336

Structural Information

Molecular Formula
C13H19N3O2
SMILES
CC1=C(C=C(C=C1)C(=O)OC(C)C)N=NN(C)C
InChI
InChI=1S/C13H19N3O2/c1-9(2)18-13(17)11-7-6-10(3)12(8-11)14-15-16(4)5/h6-9H,1-5H3
InChIKey
NIVIIISQCOCKFV-UHFFFAOYSA-N
Compound name
propan-2-yl 3-(dimethylaminodiazenyl)-4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.14772 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15500 158.5
[M+Na]+ 272.13694 164.5
[M-H]- 248.14044 166.4
[M+NH4]+ 267.18154 177.1
[M+K]+ 288.11088 165.7
[M+H-H2O]+ 232.14498 150.5
[M+HCOO]- 294.14592 187.1
[M+CH3COO]- 308.16157 212.0
[M+Na-2H]- 270.12239 161.7
[M]+ 249.14717 163.4
[M]- 249.14827 163.4
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.