CID 46224013

Tert-butyl n-(2-bromoacetyl)carbamate

Structural Information

Molecular Formula
C7H12BrNO3
SMILES
CC(C)(C)OC(=O)NC(=O)CBr
InChI
InChI=1S/C7H12BrNO3/c1-7(2,3)12-6(11)9-5(10)4-8/h4H2,1-3H3,(H,9,10,11)
InChIKey
PIBOUPWSAWJWMG-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-bromoacetyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

237.00006 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.00734 144.7
[M+Na]+ 259.98928 154.6
[M-H]- 235.99278 147.8
[M+NH4]+ 255.03388 165.7
[M+K]+ 275.96322 145.2
[M+H-H2O]+ 219.99732 144.7
[M+HCOO]- 281.99826 164.2
[M+CH3COO]- 296.01391 188.6
[M+Na-2H]- 257.97473 150.6
[M]+ 236.99951 164.4
[M]- 237.00061 164.4
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