CID 88894313

Tert-butyl n-[2-(prop-2-ynamido)ethyl]carbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

212.11609 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.123366 152.3
[M+Na]+ 235.105308 158.9
[M-H]- 211.108814 151.6
[M+NH4]+ 230.149913 168.4
[M+K]+ 251.079248 158.7
[M+H-H2O]+ 195.113350 140.8
[M+HCOO]- 257.114291 168.8
[M+CH3COO]- 271.129941 198.0
[M+Na-2H]- 233.090756 154.9
[M]+ 212.11554142 147.9
[M]- 212.11663858 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