CID 410813

4497-04-5

Structural Information

Molecular Formula
C7H13NO3
SMILES
C1COCCN1CCC(=O)O
InChI
InChI=1S/C7H13NO3/c9-7(10)1-2-8-3-5-11-6-4-8/h1-6H2,(H,9,10)
InChIKey
YUYHRSGXZZVNMS-UHFFFAOYSA-N
Compound name
3-morpholin-4-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

1735
Patents

159.08954 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.096816 133.8
[M+Na]+ 182.078758 138.5
[M-H]- 158.082264 134.4
[M+NH4]+ 177.123363 150.8
[M+K]+ 198.052698 139.1
[M+H-H2O]+ 142.086800 127.4
[M+HCOO]- 204.087741 150.8
[M+CH3COO]- 218.103391 172.4
[M+Na-2H]- 180.064206 139.3
[M]+ 159.08899142 130.9
[M]- 159.09008858 130.9
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