CID 3152565

2-morpholin-4-ylpropanoic acid

Structural Information

Molecular Formula
C7H13NO3
SMILES
CC(C(=O)O)N1CCOCC1
InChI
InChI=1S/C7H13NO3/c1-6(7(9)10)8-2-4-11-5-3-8/h6H,2-5H2,1H3,(H,9,10)
InChIKey
WEJKUVSYIGOBAR-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

374
Patents

159.08954 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 134.0
[M+Na]+ 182.07876 138.5
[M-H]- 158.08226 134.7
[M+NH4]+ 177.12336 151.0
[M+K]+ 198.05270 139.5
[M+H-H2O]+ 142.08680 127.8
[M+HCOO]- 204.08774 150.0
[M+CH3COO]- 218.10339 173.3
[M+Na-2H]- 180.06421 138.3
[M]+ 159.08899 130.5
[M]- 159.09009 130.5
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