CID 15367145

3-(tert-butylamino)propanoic acid hydrochloride

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC(C)(C)NCCC(=O)O
InChI
InChI=1S/C7H15NO2/c1-7(2,3)8-5-4-6(9)10/h8H,4-5H2,1-3H3,(H,9,10)
InChIKey
GDMFYPNVLLFABQ-UHFFFAOYSA-N
Compound name
3-(tert-butylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

145.11028 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 133.1
[M+Na]+ 168.09950 139.2
[M-H]- 144.10300 132.2
[M+NH4]+ 163.14410 153.8
[M+K]+ 184.07344 138.9
[M+H-H2O]+ 128.10754 128.9
[M+HCOO]- 190.10848 154.3
[M+CH3COO]- 204.12413 175.8
[M+Na-2H]- 166.08495 138.8
[M]+ 145.10973 133.0
[M]- 145.11083 133.0
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