CID 744983

4-morpholineacetamide, n-(2-methylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC1=CC=CC=C1NC(=O)CN2CCOCC2
InChI
InChI=1S/C13H18N2O2/c1-11-4-2-3-5-12(11)14-13(16)10-15-6-8-17-9-7-15/h2-5H,6-10H2,1H3,(H,14,16)
InChIKey
MRQYDKPXOXQOHS-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

234.13683 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 154.6
[M+Na]+ 257.126048 158.7
[M-H]- 233.129554 159.5
[M+NH4]+ 252.170653 168.8
[M+K]+ 273.099988 157.3
[M+H-H2O]+ 217.134090 146.0
[M+HCOO]- 279.135031 173.4
[M+CH3COO]- 293.150681 192.2
[M+Na-2H]- 255.111496 159.4
[M]+ 234.13628142 151.2
[M]- 234.13737858 151.2
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