CID 146049789

Methyl 2-[2-amino-3-(methylsulfanyl)propanamido]-3-hydroxypropanoate hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.08308 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09036 153.9
[M+Na]+ 259.07230 157.0
[M-H]- 235.07580 151.6
[M+NH4]+ 254.11690 169.8
[M+K]+ 275.04624 156.3
[M+H-H2O]+ 219.08034 147.3
[M+HCOO]- 281.08128 168.3
[M+CH3COO]- 295.09693 192.3
[M+Na-2H]- 257.05775 151.2
[M]+ 236.08253 154.8
[M]- 236.08363 154.8
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.