CID 85158

N-(hydroxymethyl)glycine

Structural Information

Molecular Formula
C3H7NO3
SMILES
C(C(=O)O)NCO
InChI
InChI=1S/C3H7NO3/c5-2-4-1-3(6)7/h4-5H,1-2H2,(H,6,7)
InChIKey
WBTIFBJEYFLFFW-UHFFFAOYSA-N
Compound name
2-(hydroxymethylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

11
References

8230
Patents

105.042595 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.049871 118.2
[M+Na]+ 128.031813 124.9
[M-H]- 104.035319 116.0
[M+NH4]+ 123.076418 139.3
[M+K]+ 144.005753 124.7
[M+H-H2O]+ 88.039855 113.8
[M+HCOO]- 150.040796 140.8
[M+CH3COO]- 164.056446 163.6
[M+Na-2H]- 126.017261 124.6
[M]+ 105.04204642 116.6
[M]- 105.04314358 116.6
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