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]+ 246.148866 156.9
[M+Na]+ 268.130808 161.6
[M-H]- 244.134314 161.8
[M+NH4]+ 263.175413 173.1
[M+K]+ 284.104748 158.0
[M+H-H2O]+ 228.138850 149.7
[M+HCOO]- 290.139791 177.3
[M+CH3COO]- 304.155441 193.8
[M+Na-2H]- 266.116256 159.8
[M]+ 245.14104142 153.2
[M]- 245.14213858 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.