CID 716045

Tert-butyl n-(5-methylthiophen-2-yl)carbamate

Structural Information

Molecular Formula
C10H15NO2S
SMILES
CC1=CC=C(S1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H15NO2S/c1-7-5-6-8(14-7)11-9(12)13-10(2,3)4/h5-6H,1-4H3,(H,11,12)
InChIKey
MRPLSXXSBGWVRM-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-methylthiophen-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

56
Patents

213.08235 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08963 149.1
[M+Na]+ 236.07157 156.8
[M-H]- 212.07507 153.3
[M+NH4]+ 231.11617 170.3
[M+K]+ 252.04551 155.1
[M+H-H2O]+ 196.07961 143.9
[M+HCOO]- 258.08055 167.8
[M+CH3COO]- 272.09620 186.4
[M+Na-2H]- 234.05702 150.6
[M]+ 213.08180 152.8
[M]- 213.08290 152.8
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