CID 408398

3-(dimethylamino)-2-hydroxypropanoic acid

Structural Information

Molecular Formula
C5H11NO3
SMILES
CN(C)CC(C(=O)O)O
InChI
InChI=1S/C5H11NO3/c1-6(2)3-4(7)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)
InChIKey
YHSIOCMDGDQDQA-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

133.0739 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.08118 127.4
[M+Na]+ 156.06312 134.9
[M+NH4]+ 151.10772 133.6
[M+K]+ 172.03706 132.8
[M-H]- 132.06662 125.2
[M+Na-2H]- 154.04857 129.1
[M]+ 133.07335 127.3
[M]- 133.07445 127.3
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