CID 435401

L-n-carboxymethylserine

Structural Information

Molecular Formula
C5H9NO5
SMILES
C(C(C(=O)O)NCC(=O)O)O
InChI
InChI=1S/C5H9NO5/c7-2-3(5(10)11)6-1-4(8)9/h3,6-7H,1-2H2,(H,8,9)(H,10,11)
InChIKey
NAALTSITEQTADZ-UHFFFAOYSA-N
Compound name
2-(carboxymethylamino)-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

270
Patents

163.04807 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.05535 132.1
[M+Na]+ 186.03729 137.2
[M-H]- 162.04079 128.3
[M+NH4]+ 181.08189 149.8
[M+K]+ 202.01123 137.1
[M+H-H2O]+ 146.04533 127.2
[M+HCOO]- 208.04627 151.2
[M+CH3COO]- 222.06192 172.6
[M+Na-2H]- 184.02274 134.5
[M]+ 163.04752 130.2
[M]- 163.04862 130.2
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