CID 86222788

1823230-50-7

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
CC(C)(C)OC(=O)NC1=CC(=NC=C1)SC
InChI
InChI=1S/C11H16N2O2S/c1-11(2,3)15-10(14)13-8-5-6-12-9(7-8)16-4/h5-7H,1-4H3,(H,12,13,14)
InChIKey
XWMLWQOLIMZXJD-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-methylsulfanylpyridin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.09325 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10053 154.6
[M+Na]+ 263.08247 161.9
[M-H]- 239.08597 157.2
[M+NH4]+ 258.12707 171.6
[M+K]+ 279.05641 159.5
[M+H-H2O]+ 223.09051 147.9
[M+HCOO]- 285.09145 171.1
[M+CH3COO]- 299.10710 192.1
[M+Na-2H]- 261.06792 157.9
[M]+ 240.09270 158.3
[M]- 240.09380 158.3
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.