CID 6034084

Di-tert-butyl azodicarboxylate

Structural Information

Molecular Formula
C10H18N2O4
SMILES
CC(C)(C)OC(=O)/N=N/C(=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/b12-11+
InChIKey
QKSQWQOAUQFORH-VAWYXSNFSA-N
Compound name
tert-butyl (NE)-N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5252
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 152.6
[M+Na]+ 253.11588 158.9
[M+NH4]+ 248.16048 157.2
[M+K]+ 269.08982 157.3
[M-H]- 229.11938 150.0
[M+Na-2H]- 251.10133 154.2
[M]+ 230.12611 152.3
[M]- 230.12721 152.3
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