CID 6510135

1-(1-hydroxycyclohexyl)ethanone o-(phenylmethyl)oxime

Structural Information

Molecular Formula
C15H21NO2
SMILES
C/C(=N/OCC1=CC=CC=C1)/C2(CCCCC2)O
InChI
InChI=1S/C15H21NO2/c1-13(15(17)10-6-3-7-11-15)16-18-12-14-8-4-2-5-9-14/h2,4-5,8-9,17H,3,6-7,10-12H2,1H3/b16-13-
InChIKey
XFRVZPSPSCYZMI-SSZFMOIBSA-N
Compound name
1-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 158.9
[M+Na]+ 270.14645 162.0
[M-H]- 246.14995 164.3
[M+NH4]+ 265.19105 177.0
[M+K]+ 286.12039 159.7
[M+H-H2O]+ 230.15449 151.5
[M+HCOO]- 292.15543 179.3
[M+CH3COO]- 306.17108 193.9
[M+Na-2H]- 268.13190 163.6
[M]+ 247.15668 155.0
[M]- 247.15778 155.0
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.