CID 20265865

Schembl8769353

Structural Information

Molecular Formula
C4H9NO3
SMILES
C(CNCO)C(=O)O
InChI
InChI=1S/C4H9NO3/c6-3-5-2-1-4(7)8/h5-6H,1-3H2,(H,7,8)
InChIKey
DWHWDRLMROVVSD-UHFFFAOYSA-N
Compound name
3-(hydroxymethylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

119.05824 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.065516 122.8
[M+Na]+ 142.047458 129.0
[M-H]- 118.050964 120.4
[M+NH4]+ 137.092063 143.4
[M+K]+ 158.021398 128.6
[M+H-H2O]+ 102.055500 118.2
[M+HCOO]- 164.056441 145.0
[M+CH3COO]- 178.072091 166.6
[M+Na-2H]- 140.032906 128.7
[M]+ 119.05769142 121.5
[M]- 119.05878858 121.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe