CID 9588134

Brn 2981849

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC(CO)C1=CC=C(C=C1)C2CCC/C(=N\O)/C2
InChI
InChI=1S/C15H21NO2/c1-11(10-17)12-5-7-13(8-6-12)14-3-2-4-15(9-14)16-18/h5-8,11,14,17-18H,2-4,9-10H2,1H3/b16-15+
InChIKey
YFCJUXUHZGPAGS-FOCLMDBBSA-N
Compound name
2-[4-[(3E)-3-hydroxyiminocyclohexyl]phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 158.4
[M+Na]+ 270.14645 162.0
[M-H]- 246.14995 162.8
[M+NH4]+ 265.19105 174.4
[M+K]+ 286.12039 158.6
[M+H-H2O]+ 230.15449 151.1
[M+HCOO]- 292.15543 177.2
[M+CH3COO]- 306.17108 194.2
[M+Na-2H]- 268.13190 160.2
[M]+ 247.15668 153.2
[M]- 247.15778 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.