CID 5363146

Diisopropyl azodicarboxylate

Structural Information

Molecular Formula
C8H14N2O4
SMILES
CC(C)OC(=O)/N=N/C(=O)OC(C)C
InChI
InChI=1S/C8H14N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3/b10-9+
InChIKey
VVWRJUBEIPHGQF-MDZDMXLPSA-N
Compound name
propan-2-yl (NE)-N-propan-2-yloxycarbonyliminocarbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

19
Patents

202.09535 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10263 144.2
[M+Na]+ 225.08457 149.9
[M-H]- 201.08807 147.4
[M+NH4]+ 220.12917 164.1
[M+K]+ 241.05851 153.0
[M+H-H2O]+ 185.09261 138.0
[M+HCOO]- 247.09355 170.1
[M+CH3COO]- 261.10920 193.7
[M+Na-2H]- 223.07002 146.8
[M]+ 202.09480 149.2
[M]- 202.09590 149.2
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

patents stripe