CID 97268

Di-tert-butyl azodicarboxylate

Structural Information

Molecular Formula
C10H18N2O4
SMILES
CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H18N2O4/c1-9(2,3)15-7(13)11-12-8(14)16-10(4,5)6/h1-6H3
InChIKey
QKSQWQOAUQFORH-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

14768
Patents

230.12666 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13394 150.9
[M+Na]+ 253.11588 157.3
[M-H]- 229.11938 154.3
[M+NH4]+ 248.16048 170.3
[M+K]+ 269.08982 159.9
[M+H-H2O]+ 213.12392 145.8
[M+HCOO]- 275.12486 175.1
[M+CH3COO]- 289.14051 197.2
[M+Na-2H]- 251.10133 157.1
[M]+ 230.12611 156.8
[M]- 230.12721 156.8
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.