CID 13502099

Tert-butyl n-[2-(2-bromoacetamido)ethyl]carbamate

Structural Information

Molecular Formula
C9H17BrN2O3
SMILES
CC(C)(C)OC(=O)NCCNC(=O)CBr
InChI
InChI=1S/C9H17BrN2O3/c1-9(2,3)15-8(14)12-5-4-11-7(13)6-10/h4-6H2,1-3H3,(H,11,13)(H,12,14)
InChIKey
VAVGQBDUTAHJEI-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[(2-bromoacetyl)amino]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

280.04224 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.04952 157.3
[M+Na]+ 303.03146 165.3
[M-H]- 279.03496 159.8
[M+NH4]+ 298.07606 176.2
[M+K]+ 319.00540 155.2
[M+H-H2O]+ 263.03950 155.8
[M+HCOO]- 325.04044 176.9
[M+CH3COO]- 339.05609 198.9
[M+Na-2H]- 301.01691 162.2
[M]+ 280.04169 176.7
[M]- 280.04279 176.7
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