CID 15479668

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

Structural Information

Molecular Formula
C10H18N2O3
SMILES
CC(C)(C)OC(=O)NCCNC(=O)C=C
InChI
InChI=1S/C10H18N2O3/c1-5-8(13)11-6-7-12-9(14)15-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,13)(H,12,14)
InChIKey
SXIILERIAIKHJG-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(prop-2-enoylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

214.13174 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.13902 150.7
[M+Na]+ 237.12096 155.6
[M-H]- 213.12446 150.8
[M+NH4]+ 232.16556 168.9
[M+K]+ 253.09490 155.3
[M+H-H2O]+ 197.12900 145.2
[M+HCOO]- 259.12994 173.1
[M+CH3COO]- 273.14559 191.6
[M+Na-2H]- 235.10641 154.4
[M]+ 214.13119 151.9
[M]- 214.13229 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe