CID 2779810

215183-27-0

Structural Information

Molecular Formula

C₁₀H₁₄BrNO₂S

SMILES

CC(C)(C)OC(=O)NCC1=CC=C(S1)Br

InChI

InChI=1S/C10H14BrNO2S/c1-10(2,3)14-9(13)12-6-7-4-5-8(11)15-7/h4-5H,6H2,1-3H3,(H,12,13)

InChIKey

CVNITIPQHIGCKI-UHFFFAOYSA-N

Compound name

tert-butyl N-[(5-bromothiophen-2-yl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 153
Patents: 290.99286 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	292.00014	152.5
[M+Na]+	313.98208	152.2
[M+NH4]+	309.02668	156.5
[M+K]+	329.95602	153.7
[M-H]-	289.98558	151.8
[M+Na-2H]-	311.96753	153.5
[M]+	290.99231	151.3
[M]-	290.99341	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe