CID 1549433

Ala-ser

Structural Information

Molecular Formula
C6H12N2O4
SMILES
C[C@@H](C(=O)N[C@@H](CO)C(=O)O)N
InChI
InChI=1S/C6H12N2O4/c1-3(7)5(10)8-4(2-9)6(11)12/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,4-/m0/s1
InChIKey
IPWKGIFRRBGCJO-IMJSIDKUSA-N
Compound name
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

642
Patents

176.07971 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.086986 138.6
[M+Na]+ 199.068928 142.7
[M-H]- 175.072434 135.6
[M+NH4]+ 194.113533 155.9
[M+K]+ 215.042868 143.1
[M+H-H2O]+ 159.076970 133.1
[M+HCOO]- 221.077911 158.0
[M+CH3COO]- 235.093561 180.9
[M+Na-2H]- 197.054376 138.7
[M]+ 176.07916142 134.9
[M]- 176.08025858 134.9
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.