CID 114518365

Tert-butyl 4-(chlorosulfonyl)-1,4-diazepane-1-carboxylate

Structural Information

Molecular Formula
C10H19ClN2O4S
SMILES
CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)Cl
InChI
InChI=1S/C10H19ClN2O4S/c1-10(2,3)17-9(14)12-5-4-6-13(8-7-12)18(11,15)16/h4-8H2,1-3H3
InChIKey
MLPZHYQMQBAWIF-UHFFFAOYSA-N
Compound name
tert-butyl 4-chlorosulfonyl-1,4-diazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

298.0754 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08268 165.0
[M+Na]+ 321.06462 171.3
[M+NH4]+ 316.10922 169.3
[M+K]+ 337.03856 168.3
[M-H]- 297.06812 162.0
[M+Na-2H]- 319.05007 166.2
[M]+ 298.07485 165.4
[M]- 298.07595 165.4
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

patents stripe