CID 10005178

Tert-butyl hydrogen sulfate

Structural Information

Molecular Formula
C4H10O4S
SMILES
CC(C)(C)OS(=O)(=O)O
InChI
InChI=1S/C4H10O4S/c1-4(2,3)8-9(5,6)7/h1-3H3,(H,5,6,7)
InChIKey
FVBHYZVVSXFCOO-UHFFFAOYSA-N
Compound name
tert-butyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

358
Patents

154.02998 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03726 128.7
[M+Na]+ 177.01920 137.2
[M-H]- 153.02270 128.4
[M+NH4]+ 172.06380 149.7
[M+K]+ 192.99314 136.8
[M+H-H2O]+ 137.02724 125.1
[M+HCOO]- 199.02818 144.4
[M+CH3COO]- 213.04383 168.7
[M+Na-2H]- 175.00465 134.5
[M]+ 154.02943 132.6
[M]- 154.03053 132.6
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.