CID 14843114

H-ser-met-oh

Structural Information

Molecular Formula
C8H16N2O4S
SMILES
CSCCC(C(=O)O)NC(=O)C(CO)N
InChI
InChI=1S/C8H16N2O4S/c1-15-3-2-6(8(13)14)10-7(12)5(9)4-11/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14)
InChIKey
PBUXMVYWOSKHMF-UHFFFAOYSA-N
Compound name
2-[(2-amino-3-hydroxypropanoyl)amino]-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

236.08308 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09036 153.7
[M+Na]+ 259.07230 156.2
[M-H]- 235.07580 149.8
[M+NH4]+ 254.11690 168.7
[M+K]+ 275.04624 154.7
[M+H-H2O]+ 219.08034 147.2
[M+HCOO]- 281.08128 166.6
[M+CH3COO]- 295.09693 190.7
[M+Na-2H]- 257.05775 150.5
[M]+ 236.08253 152.7
[M]- 236.08363 152.7
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

patents stripe