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

2
Patents

271.14197 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.149246 164.1
[M+Na]+ 294.131188 171.1
[M-H]- 270.134694 164.9
[M+NH4]+ 289.175793 179.3
[M+K]+ 310.105128 172.9
[M+H-H2O]+ 254.139230 153.1
[M+HCOO]- 316.140171 178.6
[M+CH3COO]- 330.155821 206.9
[M+Na-2H]- 292.116636 165.9
[M]+ 271.14142142 164.7
[M]- 271.14251858 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