CID 145874694

(2s)-1-(dimethyl-s-aminosulfonimidoyl)pyrrolidine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H15N3O3S
SMILES
CN(C)S(=N)(=O)N1CCC[C@H]1C(=O)O
InChI
InChI=1S/C7H15N3O3S/c1-9(2)14(8,13)10-5-3-4-6(10)7(11)12/h6,8H,3-5H2,1-2H3,(H,11,12)/t6-,14?/m0/s1
InChIKey
IZHSFRVCXKNZRW-TZKMECQKSA-N
Compound name
(2S)-1-(dimethylaminosulfonimidoyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.08342 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09070 148.2
[M+Na]+ 244.07264 153.1
[M+NH4]+ 239.11724 153.5
[M+K]+ 260.04658 151.5
[M-H]- 220.07614 146.6
[M+Na-2H]- 242.05809 149.2
[M]+ 221.08287 148.2
[M]- 221.08397 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.