CID 11514018

847490-49-7

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CC(C)(C)OC(=O)NCC(=O)NCC#C
InChI
InChI=1S/C10H16N2O3/c1-5-6-11-8(13)7-12-9(14)15-10(2,3)4/h1H,6-7H2,2-4H3,(H,11,13)(H,12,14)
InChIKey
NPLMGRUYTUJKAQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-oxo-2-(prop-2-ynylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

212.11609 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12337 152.3
[M+Na]+ 235.10531 158.9
[M-H]- 211.10881 151.6
[M+NH4]+ 230.14991 168.4
[M+K]+ 251.07925 158.7
[M+H-H2O]+ 195.11335 140.8
[M+HCOO]- 257.11429 168.8
[M+CH3COO]- 271.12994 198.0
[M+Na-2H]- 233.09076 154.9
[M]+ 212.11554 147.9
[M]- 212.11664 147.9
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