CID 10397232

2-(morpholinomethyl)acrylic acid

Structural Information

Molecular Formula
C8H13NO3
SMILES
C=C(CN1CCOCC1)C(=O)O
InChI
InChI=1S/C8H13NO3/c1-7(8(10)11)6-9-2-4-12-5-3-9/h1-6H2,(H,10,11)
InChIKey
IGZSSKAOSOCVPH-UHFFFAOYSA-N
Compound name
2-(morpholin-4-ylmethyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

171.08954 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 137.3
[M+Na]+ 194.078758 141.6
[M-H]- 170.082264 137.8
[M+NH4]+ 189.123363 153.7
[M+K]+ 210.052698 141.8
[M+H-H2O]+ 154.086800 130.9
[M+HCOO]- 216.087741 153.2
[M+CH3COO]- 230.103391 175.5
[M+Na-2H]- 192.064206 141.0
[M]+ 171.08899142 133.4
[M]- 171.09008858 133.4
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