CID 156600078

Ns00114704

Structural Information

Molecular Formula
C16H25NO
SMILES
CCCC(C)CC(C)CC1=CC(=C(C=C1)O)C=N
InChI
InChI=1S/C16H25NO/c1-4-5-12(2)8-13(3)9-14-6-7-16(18)15(10-14)11-17/h6-7,10-13,17-18H,4-5,8-9H2,1-3H3
InChIKey
YBUQIVUJIRWZEC-UHFFFAOYSA-N
Compound name
4-(2,4-dimethylheptyl)-2-methanimidoylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.200896 162.7
[M+Na]+ 270.182838 167.5
[M-H]- 246.186344 164.4
[M+NH4]+ 265.227443 179.4
[M+K]+ 286.156778 163.8
[M+H-H2O]+ 230.190880 156.2
[M+HCOO]- 292.191821 182.8
[M+CH3COO]- 306.207471 199.9
[M+Na-2H]- 268.168286 163.0
[M]+ 247.19307142 162.7
[M]- 247.19416858 162.7
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.