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]+ 282.119216 165.7
[M+Na]+ 304.101158 169.1
[M-H]- 280.104664 166.1
[M+NH4]+ 299.145763 182.5
[M+K]+ 320.075098 165.1
[M+H-H2O]+ 264.109200 159.9
[M+HCOO]- 326.110141 174.2
[M+CH3COO]- 340.125791 194.5
[M+Na-2H]- 302.086606 163.8
[M]+ 281.11139142 166.4
[M]- 281.11248858 166.4
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.