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

0
Patents

291.9881 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.99538 154.3
[M+Na]+ 314.97732 165.0
[M-H]- 290.98082 161.8
[M+NH4]+ 310.02192 175.8
[M+K]+ 330.95126 154.6
[M+H-H2O]+ 274.98536 153.2
[M+HCOO]- 336.98630 171.8
[M+CH3COO]- 351.00195 200.4
[M+Na-2H]- 312.96277 156.9
[M]+ 291.98755 175.1
[M]- 291.98865 175.1
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

No patent data available for this compound.