CID 121599906

1594732-58-7

Structural Information

Molecular Formula
C12H19NO2S
SMILES
CC(C)C1=CSC=C1NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H19NO2S/c1-8(2)9-6-16-7-10(9)13-11(14)15-12(3,4)5/h6-8H,1-5H3,(H,13,14)
InChIKey
XRYGHDPOINDJFS-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-propan-2-ylthiophen-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.11365 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12093 158.7
[M+Na]+ 264.10287 166.5
[M+NH4]+ 259.14747 165.9
[M+K]+ 280.07681 162.2
[M-H]- 240.10637 159.1
[M+Na-2H]- 262.08832 161.4
[M]+ 241.11310 160.1
[M]- 241.11420 160.1
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.