CID 51211469

478843-29-7

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CC(C)(C)OC(=O)NCCC(=O)NCC#C
InChI
InChI=1S/C11H18N2O3/c1-5-7-12-9(14)6-8-13-10(15)16-11(2,3)4/h1H,6-8H2,2-4H3,(H,12,14)(H,13,15)
InChIKey
RAWDIMGGRVVQTJ-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-oxo-3-(prop-2-ynylamino)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

226.13174 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13902 153.9
[M+Na]+ 249.12096 160.1
[M+NH4]+ 244.16556 155.3
[M+K]+ 265.09490 153.9
[M-H]- 225.12446 143.9
[M+Na-2H]- 247.10641 152.2
[M]+ 226.13119 150.6
[M]- 226.13229 150.6
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