CID 22934779

Tert-butyl (3-mercaptopyridin-4-yl)carbamate

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CC(C)(C)OC(=O)NC1=C(C=NC=C1)S
InChI
InChI=1S/C10H14N2O2S/c1-10(2,3)14-9(13)12-7-4-5-11-6-8(7)15/h4-6,15H,1-3H3,(H,11,12,13)
InChIKey
MKRKOWOVJQNWSY-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-sulfanylpyridin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

226.0776 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 150.2
[M+Na]+ 249.06682 157.8
[M-H]- 225.07032 152.9
[M+NH4]+ 244.11142 167.7
[M+K]+ 265.04076 155.7
[M+H-H2O]+ 209.07486 143.6
[M+HCOO]- 271.07580 166.9
[M+CH3COO]- 285.09145 189.0
[M+Na-2H]- 247.05227 153.9
[M]+ 226.07705 153.5
[M]- 226.07815 153.5
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