CID 16489630

893750-08-8

Structural Information

Molecular Formula
C10H14N2O4
SMILES
CC1=C(C(=NO1)C(=O)O)CN2CCOCC2
InChI
InChI=1S/C10H14N2O4/c1-7-8(9(10(13)14)11-16-7)6-12-2-4-15-5-3-12/h2-6H2,1H3,(H,13,14)
InChIKey
WWEQFPZKRLFAKK-UHFFFAOYSA-N
Compound name
5-methyl-4-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

226.09535 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 149.1
[M+Na]+ 249.08457 155.6
[M-H]- 225.08807 152.8
[M+NH4]+ 244.12917 162.7
[M+K]+ 265.05851 156.1
[M+H-H2O]+ 209.09261 141.6
[M+HCOO]- 271.09355 165.2
[M+CH3COO]- 285.10920 184.8
[M+Na-2H]- 247.07002 152.0
[M]+ 226.09480 148.8
[M]- 226.09590 148.8
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