CID 319413

Tert-butyl n-(thiophen-2-yl)carbamate

Structural Information

Molecular Formula
C9H13NO2S
SMILES
CC(C)(C)OC(=O)NC1=CC=CS1
InChI
InChI=1S/C9H13NO2S/c1-9(2,3)12-8(11)10-7-5-4-6-13-7/h4-6H,1-3H3,(H,10,11)
InChIKey
QTXXTRMGTVEBIN-UHFFFAOYSA-N
Compound name
tert-butyl N-thiophen-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

199.0667 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.073976 145.3
[M+Na]+ 222.055918 152.6
[M-H]- 198.059424 149.4
[M+NH4]+ 217.100523 166.8
[M+K]+ 238.029858 151.2
[M+H-H2O]+ 182.063960 140.0
[M+HCOO]- 244.064901 164.4
[M+CH3COO]- 258.080551 182.3
[M+Na-2H]- 220.041366 147.9
[M]+ 199.06615142 148.2
[M]- 199.06724858 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe