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

26
Patents

133.0739 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.081176 127.5
[M+Na]+ 156.063118 133.4
[M-H]- 132.066624 126.6
[M+NH4]+ 151.107723 148.2
[M+K]+ 172.037058 134.6
[M+H-H2O]+ 116.071160 122.8
[M+HCOO]- 178.072101 149.0
[M+CH3COO]- 192.087751 174.0
[M+Na-2H]- 154.048566 130.9
[M]+ 133.07335142 127.3
[M]- 133.07444858 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