CID 135478032

50849-47-3

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCCCCCCCCC1=CC(=C(C=C1)O)/C=N/O
InChI
InChI=1S/C16H25NO2/c1-2-3-4-5-6-7-8-9-14-10-11-16(18)15(12-14)13-17-19/h10-13,18-19H,2-9H2,1H3/b17-13+
InChIKey
MJUVQSGLWOGIOB-GHRIWEEISA-N
Compound name
2-[(E)-hydroxyiminomethyl]-4-nonylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

383
Patents

263.18854 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 165.5
[M+Na]+ 286.17776 176.1
[M+NH4]+ 281.22236 172.3
[M+K]+ 302.15170 168.4
[M-H]- 262.18126 167.2
[M+Na-2H]- 284.16321 170.0
[M]+ 263.18799 167.3
[M]- 263.18909 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe