CID 60986793

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

Structural Information

Molecular Formula
C10H21NO2
SMILES
CC(C)(C)CCN(C)CCC(=O)O
InChI
InChI=1S/C10H21NO2/c1-10(2,3)6-8-11(4)7-5-9(12)13/h5-8H2,1-4H3,(H,12,13)
InChIKey
WELWNMPSMBGXFE-UHFFFAOYSA-N
Compound name
3-[3,3-dimethylbutyl(methyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 146.2
[M+Na]+ 210.14645 151.3
[M-H]- 186.14995 146.3
[M+NH4]+ 205.19105 166.0
[M+K]+ 226.12039 151.7
[M+H-H2O]+ 170.15449 141.4
[M+HCOO]- 232.15543 167.0
[M+CH3COO]- 246.17108 188.4
[M+Na-2H]- 208.13190 149.6
[M]+ 187.15668 148.6
[M]- 187.15778 148.6
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

patents stripe