CID 167735765

Tert-butyl (2r,5s)-4-(chlorosulfonyl)-2,5-dimethylpiperazine-1-carboxylate

Structural Information

Molecular Formula
C11H21ClN2O4S
SMILES
C[C@H]1CN([C@@H](CN1S(=O)(=O)Cl)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H21ClN2O4S/c1-8-7-14(19(12,16)17)9(2)6-13(8)10(15)18-11(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9+/m1/s1
InChIKey
YQPQWMDGUOJWNM-BDAKNGLRSA-N
Compound name
tert-butyl (2R,5S)-4-chlorosulfonyl-2,5-dimethylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.09106 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09834 166.9
[M+Na]+ 335.08028 174.6
[M-H]- 311.08378 168.1
[M+NH4]+ 330.12488 181.0
[M+K]+ 351.05422 171.9
[M+H-H2O]+ 295.08832 161.9
[M+HCOO]- 357.08926 171.6
[M+CH3COO]- 371.10491 200.3
[M+Na-2H]- 333.06573 167.2
[M]+ 312.09051 171.2
[M]- 312.09161 171.2
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.