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

289
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

literature stripe

Patent stripe

patents stripe