CID 279800

Di-tert-butyl iminodicarboxylate

Structural Information

Molecular Formula
C10H19NO4
SMILES
CC(C)(C)OC(=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO4/c1-9(2,3)14-7(12)11-8(13)15-10(4,5)6/h1-6H3,(H,11,12,13)
InChIKey
XCAQIUOFDMREBA-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3669
Patents

217.13141 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.138686 149.3
[M+Na]+ 240.120628 155.4
[M-H]- 216.124134 149.9
[M+NH4]+ 235.165233 168.2
[M+K]+ 256.094568 156.8
[M+H-H2O]+ 200.128670 145.1
[M+HCOO]- 262.129611 169.3
[M+CH3COO]- 276.145261 188.6
[M+Na-2H]- 238.106076 154.1
[M]+ 217.13086142 153.0
[M]- 217.13195858 153.0
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