CID 88251

O-methyl-d-serine

Structural Information

Molecular Formula
C4H9NO3
SMILES
COC[C@H](C(=O)O)N
InChI
InChI=1S/C4H9NO3/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
InChIKey
KNTFCRCCPLEUQZ-GSVOUGTGSA-N
Compound name
(2R)-2-amino-3-methoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

33
References

5080
Patents

119.05824 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.065516 123.0
[M+Na]+ 142.047458 129.5
[M-H]- 118.050964 121.7
[M+NH4]+ 137.092063 144.1
[M+K]+ 158.021398 130.2
[M+H-H2O]+ 102.055500 118.4
[M+HCOO]- 164.056441 145.3
[M+CH3COO]- 178.072091 169.4
[M+Na-2H]- 140.032906 127.1
[M]+ 119.05769142 122.1
[M]- 119.05878858 122.1
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