CID 43590972

3-[(2-ethoxyethyl)amino]-2-methylpropanoic acid hydrochloride

Structural Information

Molecular Formula
C8H17NO3
SMILES
CCOCCNCC(C)C(=O)O
InChI
InChI=1S/C8H17NO3/c1-3-12-5-4-9-6-7(2)8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11)
InChIKey
OLXZSZXSCMACMQ-UHFFFAOYSA-N
Compound name
3-(2-ethoxyethylamino)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.12085 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.12813 141.1
[M+Na]+ 198.11007 145.9
[M-H]- 174.11357 139.6
[M+NH4]+ 193.15467 160.2
[M+K]+ 214.08401 145.9
[M+H-H2O]+ 158.11811 135.7
[M+HCOO]- 220.11905 162.6
[M+CH3COO]- 234.13470 182.2
[M+Na-2H]- 196.09552 144.2
[M]+ 175.12030 142.7
[M]- 175.12140 142.7
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.