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 158.1
[M+Na]+ 264.10287 164.6
[M-H]- 240.10637 162.0
[M+NH4]+ 259.14747 178.1
[M+K]+ 280.07681 163.0
[M+H-H2O]+ 224.11091 152.6
[M+HCOO]- 286.11185 175.1
[M+CH3COO]- 300.12750 193.3
[M+Na-2H]- 262.08832 157.6
[M]+ 241.11310 161.9
[M]- 241.11420 161.9
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.