CID 9588137

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

Structural Information

Molecular Formula
C14H17NO2
SMILES
C1CC(=C/C(=N/O)/C1)C2=CC=C(C=C2)CCO
InChI
InChI=1S/C14H17NO2/c16-9-8-11-4-6-12(7-5-11)13-2-1-3-14(10-13)15-17/h4-7,10,16-17H,1-3,8-9H2/b15-14+
InChIKey
YXDZGFGFIPQWCZ-CCEZHUSRSA-N
Compound name
2-[4-[(3E)-3-hydroxyiminocyclohexen-1-yl]phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 152.0
[M+Na]+ 254.11515 157.4
[M-H]- 230.11865 156.9
[M+NH4]+ 249.15975 168.8
[M+K]+ 270.08909 153.5
[M+H-H2O]+ 214.12319 144.8
[M+HCOO]- 276.12413 173.7
[M+CH3COO]- 290.13978 189.9
[M+Na-2H]- 252.10060 156.6
[M]+ 231.12538 148.5
[M]- 231.12648 148.5
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.