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

8
Patents

247.08783 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.095106 153.5
[M+Na]+ 270.077048 159.3
[M-H]- 246.080554 156.9
[M+NH4]+ 265.121653 172.6
[M+K]+ 286.050988 157.0
[M+H-H2O]+ 230.085090 148.3
[M+HCOO]- 292.086031 165.2
[M+CH3COO]- 306.101681 184.3
[M+Na-2H]- 268.062496 152.2
[M]+ 247.08728142 150.3
[M]- 247.08837858 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