CID 138319515

1858221-49-4

Structural Information

Molecular Formula
C18H29NO2
SMILES
CCCCCCCCOCCCN=CC1=CC=CC=C1O
InChI
InChI=1S/C18H29NO2/c1-2-3-4-5-6-9-14-21-15-10-13-19-16-17-11-7-8-12-18(17)20/h7-8,11-12,16,20H,2-6,9-10,13-15H2,1H3
InChIKey
WVLOYPKIPUQXMS-UHFFFAOYSA-N
Compound name
2-(3-octoxypropyliminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

291.21982 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.22710 174.0
[M+Na]+ 314.20904 177.8
[M-H]- 290.21254 176.1
[M+NH4]+ 309.25364 189.4
[M+K]+ 330.18298 174.1
[M+H-H2O]+ 274.21708 166.0
[M+HCOO]- 336.21802 197.2
[M+CH3COO]- 350.23367 207.0
[M+Na-2H]- 312.19449 176.9
[M]+ 291.21927 178.9
[M]- 291.22037 178.9
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