CID 107912

N-(2-hydroxyethyl)valine

Structural Information

Molecular Formula
C7H15NO3
SMILES
CC(C)C(C(=O)O)NCCO
InChI
InChI=1S/C7H15NO3/c1-5(2)6(7(10)11)8-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)
InChIKey
AJNYQRXDVGKEIT-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethylamino)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

40
References

4
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 137.6
[M+Na]+ 184.09442 142.2
[M-H]- 160.09792 134.9
[M+NH4]+ 179.13902 156.4
[M+K]+ 200.06836 142.0
[M+H-H2O]+ 144.10246 132.6
[M+HCOO]- 206.10340 156.9
[M+CH3COO]- 220.11905 177.6
[M+Na-2H]- 182.07987 139.3
[M]+ 161.10465 136.2
[M]- 161.10575 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe