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

27
Patents

226.13174 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.139016 156.2
[M+Na]+ 249.120958 162.5
[M-H]- 225.124464 155.4
[M+NH4]+ 244.165563 171.8
[M+K]+ 265.094898 162.0
[M+H-H2O]+ 209.129000 144.6
[M+HCOO]- 271.129941 172.4
[M+CH3COO]- 285.145591 200.7
[M+Na-2H]- 247.106406 158.4
[M]+ 226.13119142 152.2
[M]- 226.13228858 152.2
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