CID 9570417

Acetophenone, 4'-methyl-2-(morpholinoimino)-

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CC1=CC=C(C=C1)C(=O)/C=N/N2CCOCC2
InChI
InChI=1S/C13H16N2O2/c1-11-2-4-12(5-3-11)13(16)10-14-15-6-8-17-9-7-15/h2-5,10H,6-9H2,1H3/b14-10+
InChIKey
MQBKLVBKWWJALJ-GXDHUFHOSA-N
Compound name
(2E)-1-(4-methylphenyl)-2-morpholin-4-yliminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.128466 152.9
[M+Na]+ 255.110408 157.8
[M-H]- 231.113914 159.3
[M+NH4]+ 250.155013 167.9
[M+K]+ 271.084348 156.7
[M+H-H2O]+ 215.118450 144.2
[M+HCOO]- 277.119391 173.5
[M+CH3COO]- 291.135041 193.9
[M+Na-2H]- 253.095856 158.3
[M]+ 232.12064142 150.7
[M]- 232.12173858 150.7
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

No patent data available for this compound.