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

84
Patents

171.08954 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 137.3
[M+Na]+ 194.07876 141.6
[M-H]- 170.08226 137.8
[M+NH4]+ 189.12336 153.7
[M+K]+ 210.05270 141.8
[M+H-H2O]+ 154.08680 130.9
[M+HCOO]- 216.08774 153.2
[M+CH3COO]- 230.10339 175.5
[M+Na-2H]- 192.06421 141.0
[M]+ 171.08899 133.4
[M]- 171.09009 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