CID 145874414

3-[(2,3-dimethylbutyl)(methyl)amino]propanoic acid hydrochloride

Structural Information

Molecular Formula
C10H21NO2
SMILES
CC(C)C(C)CN(C)CCC(=O)O
InChI
InChI=1S/C10H21NO2/c1-8(2)9(3)7-11(4)6-5-10(12)13/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKey
MMGLDVHAFDFSKF-UHFFFAOYSA-N
Compound name
3-[2,3-dimethylbutyl(methyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.15723 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.16451 147.5
[M+Na]+ 210.14645 151.6
[M-H]- 186.14995 147.3
[M+NH4]+ 205.19105 166.8
[M+K]+ 226.12039 152.5
[M+H-H2O]+ 170.15449 142.0
[M+HCOO]- 232.15543 167.7
[M+CH3COO]- 246.17108 190.6
[M+Na-2H]- 208.13190 147.5
[M]+ 187.15668 149.1
[M]- 187.15778 149.1
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.