CID 54086659

N-[(tert-butoxy)carbonyl]-n-{[(tert-butoxy)carbonyl]oxy}prop-2-yn-1-amine

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)N(CC#C)OC(=O)OC(C)(C)C
InChI
InChI=1S/C13H21NO5/c1-8-9-14(10(15)17-12(2,3)4)19-11(16)18-13(5,6)7/h1H,9H2,2-7H3
InChIKey
MQYYYXNLMVRVTN-UHFFFAOYSA-N
Compound name
tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino] carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

271.14197 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 158.9
[M+Na]+ 294.13119 165.0
[M+NH4]+ 289.17579 159.6
[M+K]+ 310.10513 160.9
[M-H]- 270.13469 147.6
[M+Na-2H]- 292.11664 156.7
[M]+ 271.14142 155.3
[M]- 271.14252 155.3
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

patents stripe