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 165.7
[M+Na]+ 304.10116 169.1
[M-H]- 280.10466 166.1
[M+NH4]+ 299.14576 182.5
[M+K]+ 320.07510 165.1
[M+H-H2O]+ 264.10920 159.9
[M+HCOO]- 326.11014 174.2
[M+CH3COO]- 340.12579 194.5
[M+Na-2H]- 302.08661 163.8
[M]+ 281.11139 166.4
[M]- 281.11249 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.