CID 146427601

Tert-butyl n-[2-(bromomethyl)prop-2-en-1-yl]carbamate

Structural Information

Molecular Formula
C9H16BrNO2
SMILES
CC(C)(C)OC(=O)NCC(=C)CBr
InChI
InChI=1S/C9H16BrNO2/c1-7(5-10)6-11-8(12)13-9(2,3)4/h1,5-6H2,2-4H3,(H,11,12)
InChIKey
LAZAENBZYFVMFR-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(bromomethyl)prop-2-enyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

249.03644 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.04372 149.6
[M+Na]+ 272.02566 148.7
[M+NH4]+ 267.07026 152.3
[M+K]+ 287.99960 150.8
[M-H]- 248.02916 146.6
[M+Na-2H]- 270.01111 148.9
[M]+ 249.03589 147.1
[M]- 249.03699 147.1
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