CID 104875154

2287237-15-2

Structural Information

Molecular Formula
C7H15NO3
SMILES
C[C@H](C(=O)O)OCCN(C)C
InChI
InChI=1S/C7H15NO3/c1-6(7(9)10)11-5-4-8(2)3/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m1/s1
InChIKey
KTZGAIJFEMRSTO-ZCFIWIBFSA-N
Compound name
(2R)-2-[2-(dimethylamino)ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.1052 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.11248 136.1
[M+Na]+ 184.09442 141.6
[M-H]- 160.09792 136.3
[M+NH4]+ 179.13902 156.4
[M+K]+ 200.06836 143.2
[M+H-H2O]+ 144.10246 130.8
[M+HCOO]- 206.10340 158.5
[M+CH3COO]- 220.11905 182.7
[M+Na-2H]- 182.07987 139.0
[M]+ 161.10465 138.6
[M]- 161.10575 138.6
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

No patent data available for this compound.