CID 137942452

2260931-64-2

Structural Information

Molecular Formula
C10H19ClN2O4S
SMILES
CC1CN(CCN1C(=O)OC(C)(C)C)S(=O)(=O)Cl
InChI
InChI=1S/C10H19ClN2O4S/c1-8-7-12(18(11,15)16)5-6-13(8)9(14)17-10(2,3)4/h8H,5-7H2,1-4H3
InChIKey
YERFHBXYPCZIBE-UHFFFAOYSA-N
Compound name
tert-butyl 4-chlorosulfonyl-2-methylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0754 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08268 163.4
[M+Na]+ 321.06462 170.7
[M-H]- 297.06812 164.4
[M+NH4]+ 316.10922 177.7
[M+K]+ 337.03856 168.1
[M+H-H2O]+ 281.07266 158.2
[M+HCOO]- 343.07360 168.4
[M+CH3COO]- 357.08925 196.1
[M+Na-2H]- 319.05007 164.6
[M]+ 298.07485 166.9
[M]- 298.07595 166.9
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.