CID 736476

Tert-butyl n-(thiophen-3-yl)carbamate

Structural Information

Molecular Formula
C9H13NO2S
SMILES
CC(C)(C)OC(=O)NC1=CSC=C1
InChI
InChI=1S/C9H13NO2S/c1-9(2,3)12-8(11)10-7-4-5-13-6-7/h4-6H,1-3H3,(H,10,11)
InChIKey
PRWYQCYSADTIBZ-UHFFFAOYSA-N
Compound name
tert-butyl N-thiophen-3-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

199.0667 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07398 145.3
[M+Na]+ 222.05592 152.6
[M-H]- 198.05942 149.4
[M+NH4]+ 217.10052 166.8
[M+K]+ 238.02986 151.2
[M+H-H2O]+ 182.06396 140.0
[M+HCOO]- 244.06490 164.4
[M+CH3COO]- 258.08055 182.3
[M+Na-2H]- 220.04137 147.9
[M]+ 199.06615 148.2
[M]- 199.06725 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