CID 20598078

4-acetylmorpholine-2-carboxylic acid

Structural Information

Molecular Formula
C7H11NO4
SMILES
CC(=O)N1CCOC(C1)C(=O)O
InChI
InChI=1S/C7H11NO4/c1-5(9)8-2-3-12-6(4-8)7(10)11/h6H,2-4H2,1H3,(H,10,11)
InChIKey
ZRKDVLAKXLCMKC-UHFFFAOYSA-N
Compound name
4-acetylmorpholine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

173.0688 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07608 134.9
[M+Na]+ 196.05802 140.6
[M-H]- 172.06152 136.0
[M+NH4]+ 191.10262 151.5
[M+K]+ 212.03196 141.6
[M+H-H2O]+ 156.06606 128.8
[M+HCOO]- 218.06700 151.3
[M+CH3COO]- 232.08265 175.2
[M+Na-2H]- 194.04347 138.6
[M]+ 173.06825 132.5
[M]- 173.06935 132.5
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