CID 182092

(2r)-2-amino-3-(methylsulfinyl)propanoic acid

Structural Information

Molecular Formula
C4H9NO3S
SMILES
CS(=O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C4H9NO3S/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-,9?/m0/s1
InChIKey
ZZLHPCSGGOGHFW-BUKSALPDSA-N
Compound name
(2R)-2-amino-3-methylsulfinylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

59
References

1109
Patents

151.03032 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03760 129.5
[M+Na]+ 174.01954 135.6
[M-H]- 150.02304 128.1
[M+NH4]+ 169.06414 149.4
[M+K]+ 189.99348 134.8
[M+H-H2O]+ 134.02758 124.4
[M+HCOO]- 196.02852 145.1
[M+CH3COO]- 210.04417 173.4
[M+Na-2H]- 172.00499 129.2
[M]+ 151.02977 129.2
[M]- 151.03087 129.2
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