CID 10466592

Methyl 4-(morpholinomethyl)benzoate

Structural Information

Molecular Formula

C₁₃H₁₇NO₃

SMILES

COC(=O)C1=CC=C(C=C1)CN2CCOCC2

InChI

InChI=1S/C13H17NO3/c1-16-13(15)12-4-2-11(3-5-12)10-14-6-8-17-9-7-14/h2-5H,6-10H2,1H3

InChIKey

JENXYLLXQAOUJO-UHFFFAOYSA-N

Compound name

methyl 4-(morpholin-4-ylmethyl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 145
Patents: 235.12085 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.12813	153.5
[M+Na]+	258.11007	165.8
[M+NH4]+	253.15467	161.1
[M+K]+	274.08401	159.9
[M-H]-	234.11357	157.7
[M+Na-2H]-	256.09552	159.8
[M]+	235.12030	156.3
[M]-	235.12140	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe