CID 210273

21208-94-6

Structural Information

Molecular Formula
C11H23NO3S2
SMILES
CC[C@H](CNCCOS(=O)(=S)O)C1CCCC1
InChI
InChI=1S/C11H23NO3S2/c1-2-10(11-5-3-4-6-11)9-12-7-8-15-17(13,14)16/h10-12H,2-9H2,1H3,(H,13,14,16)/t10-/m1/s1
InChIKey
SEBZMEGIAVOMEZ-SNVBAGLBSA-N
Compound name
(2S)-2-cyclopentyl-N-(2-hydroxysulfonothioyloxyethyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11194 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11922 164.6
[M+Na]+ 304.10116 168.8
[M+NH4]+ 299.14576 170.8
[M+K]+ 320.07510 163.2
[M-H]- 280.10466 163.5
[M+Na-2H]- 302.08661 164.5
[M]+ 281.11139 165.3
[M]- 281.11249 165.3
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

No patent data available for this compound.