CID 136144093

P-tert-dodecylphenyl-n-hexyldioxime

Structural Information

Molecular Formula
C26H44N2O2
SMILES
CCCCCCCC(C)(C)CCC1=CC=C(C=C1)/C(=N\O)/C(=N/O)/CCCCCC
InChI
InChI=1S/C26H44N2O2/c1-5-7-9-11-13-20-26(3,4)21-19-22-15-17-23(18-16-22)25(28-30)24(27-29)14-12-10-8-6-2/h15-18,29-30H,5-14,19-21H2,1-4H3/b27-24+,28-25+
InChIKey
KLDMGBKYNTYDCJ-KNCIMYNLSA-N
Compound name
(NE)-N-[(1E)-1-[4-(3,3-dimethyldecyl)phenyl]-1-hydroxyiminooctan-2-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

416.34027 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.347546 213.3
[M+Na]+ 439.329488 213.0
[M-H]- 415.332994 214.2
[M+NH4]+ 434.374093 223.1
[M+K]+ 455.303428 208.4
[M+H-H2O]+ 399.337530 204.4
[M+HCOO]- 461.338471 231.4
[M+CH3COO]- 475.354121 236.4
[M+Na-2H]- 437.314936 210.8
[M]+ 416.33972142 217.7
[M]- 416.34081858 217.7
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.