CID 11355565

Tert-butyl 2-sulfanylacetate

Structural Information

Molecular Formula
C6H12O2S
SMILES
CC(C)(C)OC(=O)CS
InChI
InChI=1S/C6H12O2S/c1-6(2,3)8-5(7)4-9/h9H,4H2,1-3H3
InChIKey
YXIMCNGUIIEJMO-UHFFFAOYSA-N
Compound name
tert-butyl 2-sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

963
Patents

148.0558 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.06308 130.7
[M+Na]+ 171.04502 138.5
[M-H]- 147.04852 131.6
[M+NH4]+ 166.08962 152.9
[M+K]+ 187.01896 138.4
[M+H-H2O]+ 131.05306 126.6
[M+HCOO]- 193.05400 147.2
[M+CH3COO]- 207.06965 173.9
[M+Na-2H]- 169.03047 133.8
[M]+ 148.05525 135.0
[M]- 148.05635 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe