CID 5951

L-serine

Structural Information

Molecular Formula
C3H7NO3
SMILES
C([C@@H](C(=O)O)N)O
InChI
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
InChIKey
MTCFGRXMJLQNBG-REOHCLBHSA-N
Compound name
(2S)-2-amino-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

61749
References

177002
Patents

105.042595 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.049871 119.2
[M+Na]+ 128.031813 125.7
[M-H]- 104.035319 116.6
[M+NH4]+ 123.076418 140.0
[M+K]+ 144.005753 125.7
[M+H-H2O]+ 88.039855 114.9
[M+HCOO]- 150.040796 140.2
[M+CH3COO]- 164.056446 163.9
[M+Na-2H]- 126.017261 123.2
[M]+ 105.04204642 115.9
[M]- 105.04314358 115.9
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