CID 45087567

126576-99-6

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

CN(C)[C@H](CO)C(=O)O

InChI

InChI=1S/C5H11NO3/c1-6(2)4(3-7)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m1/s1

InChIKey

UHOZUUWRLMQQBZ-SCSAIBSYSA-N

Compound name

(2R)-2-(dimethylamino)-3-hydroxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 214
Patents: 133.0739 Da
Monoisotopic Mass: -3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe