CID 54516518

2-[(2,2-dimethylpropyl)(methyl)amino]acetic acid hydrochloride

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC(C)(C)CN(C)CC(=O)O
InChI
InChI=1S/C8H17NO2/c1-8(2,3)6-9(4)5-7(10)11/h5-6H2,1-4H3,(H,10,11)
InChIKey
YMUHXYNTHUXEOB-UHFFFAOYSA-N
Compound name
2-[2,2-dimethylpropyl(methyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

159.12593 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 136.8
[M+Na]+ 182.11515 142.8
[M-H]- 158.11865 137.3
[M+NH4]+ 177.15975 157.7
[M+K]+ 198.08909 143.7
[M+H-H2O]+ 142.12319 132.4
[M+HCOO]- 204.12413 158.2
[M+CH3COO]- 218.13978 182.4
[M+Na-2H]- 180.10060 141.3
[M]+ 159.12538 138.4
[M]- 159.12648 138.4
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