CID 7019105

H-ser-ser-oh

Structural Information

Molecular Formula
C6H12N2O5
SMILES
C([C@@H](C(=O)N[C@@H](CO)C(=O)O)N)O
InChI
InChI=1S/C6H12N2O5/c7-3(1-9)5(11)8-4(2-10)6(12)13/h3-4,9-10H,1-2,7H2,(H,8,11)(H,12,13)/t3-,4-/m0/s1
InChIKey
XZKQVQKUZMAADP-IMJSIDKUSA-N
Compound name
(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

17382
Patents

192.07462 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08190 141.0
[M+Na]+ 215.06384 144.6
[M-H]- 191.06734 136.5
[M+NH4]+ 210.10844 156.8
[M+K]+ 231.03778 144.7
[M+H-H2O]+ 175.07188 135.3
[M+HCOO]- 237.07282 159.2
[M+CH3COO]- 251.08847 181.0
[M+Na-2H]- 213.04929 140.7
[M]+ 192.07407 136.9
[M]- 192.07517 136.9
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