CID 54569745

4-ethylmorpholine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H13NO3
SMILES
CCN1CCOC(C1)C(=O)O
InChI
InChI=1S/C7H13NO3/c1-2-8-3-4-11-6(5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKey
ZWKAACPJQCCKND-UHFFFAOYSA-N
Compound name
4-ethylmorpholine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

159.08954 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.096816 133.5
[M+Na]+ 182.078758 139.2
[M-H]- 158.082264 134.5
[M+NH4]+ 177.123363 150.9
[M+K]+ 198.052698 139.8
[M+H-H2O]+ 142.086800 127.4
[M+HCOO]- 204.087741 150.5
[M+CH3COO]- 218.103391 173.6
[M+Na-2H]- 180.064206 138.3
[M]+ 159.08899142 131.0
[M]- 159.09008858 131.0
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