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 164.1
[M+Na]+ 294.13119 171.1
[M-H]- 270.13469 164.9
[M+NH4]+ 289.17579 179.3
[M+K]+ 310.10513 172.9
[M+H-H2O]+ 254.13923 153.1
[M+HCOO]- 316.14017 178.6
[M+CH3COO]- 330.15582 206.9
[M+Na-2H]- 292.11664 165.9
[M]+ 271.14142 164.7
[M]- 271.14252 164.7
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