CID 23644529

S-propylamine-l-cysteine

Structural Information

Molecular Formula
C6H16N2OS
SMILES
C(CN)CSC[C@@H](CO)N
InChI
InChI=1S/C6H16N2OS/c7-2-1-3-10-5-6(8)4-9/h6,9H,1-5,7-8H2/t6-/m1/s1
InChIKey
RYOVYWMBACBGOD-ZCFIWIBFSA-N
Compound name
(2R)-2-amino-3-(3-aminopropylsulfanyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

164.09833 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10561 136.1
[M+Na]+ 187.08755 140.7
[M-H]- 163.09105 133.6
[M+NH4]+ 182.13215 155.2
[M+K]+ 203.06149 138.2
[M+H-H2O]+ 147.09559 130.2
[M+HCOO]- 209.09653 152.5
[M+CH3COO]- 223.11218 179.7
[M+Na-2H]- 185.07300 136.4
[M]+ 164.09778 134.4
[M]- 164.09888 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe