CID 165759500

N-(4-bromothiophen-2-yl)(tert-butoxy)carbohydrazide

Structural Information

Molecular Formula

C₉H₁₃BrN₂O₂S

SMILES

CC(C)(C)OC(=O)N(C1=CC(=CS1)Br)N

InChI

InChI=1S/C9H13BrN2O2S/c1-9(2,3)14-8(13)12(11)7-4-6(10)5-15-7/h4-5H,11H2,1-3H3

InChIKey

DJGVVDIVOKBCEK-UHFFFAOYSA-N

Compound name

tert-butyl N-amino-N-(4-bromothiophen-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 291.9881 Da
Monoisotopic Mass: 2.6
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]+	292.995376	154.3
[M+Na]+	314.977318	165.0
[M-H]-	290.980824	161.8
[M+NH4]+	310.021923	175.8
[M+K]+	330.951258	154.6
[M+H-H2O]+	274.985360	153.2
[M+HCOO]-	336.986301	171.8
[M+CH3COO]-	351.001951	200.4
[M+Na-2H]-	312.962766	156.9
[M]+	291.98755142	175.1
[M]-	291.98864858	175.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe