CID 71607466

Tert-butyl n-(5-methylthiophen-3-yl)carbamate

Structural Information

Molecular Formula
C10H15NO2S
SMILES
CC1=CC(=CS1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H15NO2S/c1-7-5-8(6-14-7)11-9(12)13-10(2,3)4/h5-6H,1-4H3,(H,11,12)
InChIKey
VIPISFZPXVBJCK-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-methylthiophen-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

213.08235 Da
Monoisotopic Mass

2.6
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

No literature data available for this compound.

Patent stripe

patents stripe