CID 3064605

Brn 5526025

Structural Information

Molecular Formula
C10H18N2O2S
SMILES
CC(C)([C@@H](C(=O)O)NC1=NCCCC1)S
InChI
InChI=1S/C10H18N2O2S/c1-10(2,15)8(9(13)14)12-7-5-3-4-6-11-7/h8,15H,3-6H2,1-2H3,(H,11,12)(H,13,14)/t8-/m1/s1
InChIKey
CYVFFTFGKHVDNG-MRVPVSSYSA-N
Compound name
(2R)-3-methyl-3-sulfanyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1089 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11618 152.4
[M+Na]+ 253.09812 159.6
[M+NH4]+ 248.14272 159.0
[M+K]+ 269.07206 154.5
[M-H]- 229.10162 152.0
[M+Na-2H]- 251.08357 155.2
[M]+ 230.10835 153.4
[M]- 230.10945 153.4
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.