CID 10466592

Methyl 4-(morpholin-4-ylmethyl)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

135
Patents

235.12085 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.128126 153.2
[M+Na]+ 258.110068 158.1
[M-H]- 234.113574 158.2
[M+NH4]+ 253.154673 167.7
[M+K]+ 274.084008 157.4
[M+H-H2O]+ 218.118110 144.8
[M+HCOO]- 280.119051 171.2
[M+CH3COO]- 294.134701 189.3
[M+Na-2H]- 256.095516 157.7
[M]+ 235.12030142 152.0
[M]- 235.12139858 152.0
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