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 156.2
[M+Na]+ 249.12096 162.5
[M-H]- 225.12446 155.4
[M+NH4]+ 244.16556 171.8
[M+K]+ 265.09490 162.0
[M+H-H2O]+ 209.12900 144.6
[M+HCOO]- 271.12994 172.4
[M+CH3COO]- 285.14559 200.7
[M+Na-2H]- 247.10641 158.4
[M]+ 226.13119 152.2
[M]- 226.13229 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