CID 9588136

2-cyclohexen-1-one, 3-(4-(2-hydroxy-1-methylethyl)phenyl)-, oxime

Structural Information

Molecular Formula
C15H19NO2
SMILES
CC(CO)C1=CC=C(C=C1)C2=C/C(=N/O)/CCC2
InChI
InChI=1S/C15H19NO2/c1-11(10-17)12-5-7-13(8-6-12)14-3-2-4-15(9-14)16-18/h5-9,11,17-18H,2-4,10H2,1H3/b16-15+
InChIKey
QNWLFZXDLDVSFY-FOCLMDBBSA-N
Compound name
2-[4-[(3E)-3-hydroxyiminocyclohexen-1-yl]phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14887 156.9
[M+Na]+ 268.13081 161.6
[M-H]- 244.13431 161.8
[M+NH4]+ 263.17541 173.1
[M+K]+ 284.10475 158.0
[M+H-H2O]+ 228.13885 149.7
[M+HCOO]- 290.13979 177.3
[M+CH3COO]- 304.15544 193.8
[M+Na-2H]- 266.11626 159.8
[M]+ 245.14104 153.2
[M]- 245.14214 153.2
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.