CID 165981787

(2s)-2-[(2r)-2-hydroxypropanamido]-4-(methylsulfanyl)butanoic acid

Structural Information

Molecular Formula
C8H15NO4S
SMILES
C[C@H](C(=O)N[C@@H](CCSC)C(=O)O)O
InChI
InChI=1S/C8H15NO4S/c1-5(10)7(11)9-6(8(12)13)3-4-14-2/h5-6,10H,3-4H2,1-2H3,(H,9,11)(H,12,13)/t5-,6+/m1/s1
InChIKey
UFMNJPDGXQPVJM-RITPCOANSA-N
Compound name
(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.07217 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07945 150.2
[M+Na]+ 244.06139 154.9
[M+NH4]+ 239.10599 154.8
[M+K]+ 260.03533 151.9
[M-H]- 220.06489 146.5
[M+Na-2H]- 242.04684 149.0
[M]+ 221.07162 149.6
[M]- 221.07272 149.6
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.