CID 91620366

Tert-butyl n-methyl-n-(2-sulfanylethyl)carbamate

Structural Information

Molecular Formula
C8H17NO2S
SMILES
CC(C)(C)OC(=O)N(C)CCS
InChI
InChI=1S/C8H17NO2S/c1-8(2,3)11-7(10)9(4)5-6-12/h12H,5-6H2,1-4H3
InChIKey
JEWPGNLVKRCNBX-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-(2-sulfanylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

191.098 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10528 143.9
[M+Na]+ 214.08722 150.1
[M-H]- 190.09072 145.8
[M+NH4]+ 209.13182 164.7
[M+K]+ 230.06116 150.7
[M+H-H2O]+ 174.09526 138.6
[M+HCOO]- 236.09620 161.1
[M+CH3COO]- 250.11185 187.5
[M+Na-2H]- 212.07267 145.7
[M]+ 191.09745 149.2
[M]- 191.09855 149.2
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