CID 135699310

1-(2-hydroxy-4-methylphenyl)-1-dodecanone oxime

Structural Information

Molecular Formula
C19H31NO2
SMILES
CCCCCCCCCCC/C(=N\O)/C1=C(C=C(C=C1)C)O
InChI
InChI=1S/C19H31NO2/c1-3-4-5-6-7-8-9-10-11-12-18(20-22)17-14-13-16(2)15-19(17)21/h13-15,21-22H,3-12H2,1-2H3/b20-18+
InChIKey
DJRCMVCFUPOPKC-CZIZESTLSA-N
Compound name
2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

854
Patents

305.23547 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.24275 179.4
[M+Na]+ 328.22469 183.0
[M-H]- 304.22819 180.3
[M+NH4]+ 323.26929 193.7
[M+K]+ 344.19863 178.7
[M+H-H2O]+ 288.23273 171.9
[M+HCOO]- 350.23367 199.7
[M+CH3COO]- 364.24932 209.4
[M+Na-2H]- 326.21014 179.3
[M]+ 305.23492 182.4
[M]- 305.23602 182.4
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

patents stripe