CID 9570417

4'-methyl-2-(morpholinoimino)acetophenone

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]+ 233.12847 152.9
[M+Na]+ 255.11041 157.8
[M-H]- 231.11391 159.3
[M+NH4]+ 250.15501 167.9
[M+K]+ 271.08435 156.7
[M+H-H2O]+ 215.11845 144.2
[M+HCOO]- 277.11939 173.5
[M+CH3COO]- 291.13504 193.9
[M+Na-2H]- 253.09586 158.3
[M]+ 232.12064 150.7
[M]- 232.12174 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.