CID 16226756

1052541-78-2

Structural Information

Molecular Formula
C10H17NO4S
SMILES
C1CN(CCC1C(=O)O)C2CCS(=O)(=O)C2
InChI
InChI=1S/C10H17NO4S/c12-10(13)8-1-4-11(5-2-8)9-3-6-16(14,15)7-9/h8-9H,1-7H2,(H,12,13)
InChIKey
LZGSJQNRMQTUOM-UHFFFAOYSA-N
Compound name
1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

247.08783 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09511 153.5
[M+Na]+ 270.07705 159.3
[M-H]- 246.08055 156.9
[M+NH4]+ 265.12165 172.6
[M+K]+ 286.05099 157.0
[M+H-H2O]+ 230.08509 148.3
[M+HCOO]- 292.08603 165.2
[M+CH3COO]- 306.10168 184.3
[M+Na-2H]- 268.06250 152.2
[M]+ 247.08728 150.3
[M]- 247.08838 150.3
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