CID 210275

Brn 2978049

Structural Information

Molecular Formula
C11H23NO3S2
SMILES
C[C@H](CNCCOS(=O)(=S)O)C1CCCCC1
InChI
InChI=1S/C11H23NO3S2/c1-10(11-5-3-2-4-6-11)9-12-7-8-15-17(13,14)16/h10-12H,2-9H2,1H3,(H,13,14,16)/t10-/m1/s1
InChIKey
GKEXTNQBBRYYAK-SNVBAGLBSA-N
Compound name
(2S)-2-cyclohexyl-N-(2-hydroxysulfonothioyloxyethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11194 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11922 162.6
[M+Na]+ 304.10116 164.6
[M-H]- 280.10466 162.4
[M+NH4]+ 299.14576 177.3
[M+K]+ 320.07510 160.4
[M+H-H2O]+ 264.10920 156.2
[M+HCOO]- 326.11014 168.9
[M+CH3COO]- 340.12579 194.9
[M+Na-2H]- 302.08661 162.1
[M]+ 281.11139 161.0
[M]- 281.11249 161.0
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.