CID 91620366

134464-53-2

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

53
Patents

191.098 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.105276 143.9
[M+Na]+ 214.087218 150.1
[M-H]- 190.090724 145.8
[M+NH4]+ 209.131823 164.7
[M+K]+ 230.061158 150.7
[M+H-H2O]+ 174.095260 138.6
[M+HCOO]- 236.096201 161.1
[M+CH3COO]- 250.111851 187.5
[M+Na-2H]- 212.072666 145.7
[M]+ 191.09745142 149.2
[M]- 191.09854858 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