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]+ 300.06670 156.5
[M+Na]+ 322.04864 161.1
[M-H]- 298.05214 160.0
[M+NH4]+ 317.09324 169.4
[M+K]+ 338.02258 165.5
[M+H-H2O]+ 282.05668 150.8
[M+HCOO]- 344.05762 162.4
[M+CH3COO]- 358.07327 195.3
[M+Na-2H]- 320.03409 159.3
[M]+ 299.05887 157.4
[M]- 299.05997 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.