CID 155973626

2648961-37-7

Structural Information

Molecular Formula
C10H18ClNO5S
SMILES
CC(C)(C)OC(=O)N1CCOCC(C1)S(=O)(=O)Cl
InChI
InChI=1S/C10H18ClNO5S/c1-10(2,3)17-9(13)12-4-5-16-7-8(6-12)18(11,14)15/h8H,4-7H2,1-3H3
InChIKey
VBKNTAFJXIROBP-UHFFFAOYSA-N
Compound name
tert-butyl 6-chlorosulfonyl-1,4-oxazepane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.05942 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.066696 156.5
[M+Na]+ 322.048638 161.1
[M-H]- 298.052144 160.0
[M+NH4]+ 317.093243 169.4
[M+K]+ 338.022578 165.5
[M+H-H2O]+ 282.056680 150.8
[M+HCOO]- 344.057621 162.4
[M+CH3COO]- 358.073271 195.3
[M+Na-2H]- 320.034086 159.3
[M]+ 299.05887142 157.4
[M]- 299.05996858 157.4
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.