CID 3024108

1-(4-nonylphenoxy)propan-2-ol

Structural Information

Molecular Formula
C18H30O2
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCC(C)O
InChI
InChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)20-15-16(2)19/h11-14,16,19H,3-10,15H2,1-2H3
InChIKey
WLCXMYXZQNWTKN-UHFFFAOYSA-N
Compound name
1-(4-nonylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

278.22458 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.231856 172.6
[M+Na]+ 301.213798 176.3
[M-H]- 277.217304 173.4
[M+NH4]+ 296.258403 188.1
[M+K]+ 317.187738 172.8
[M+H-H2O]+ 261.221840 165.4
[M+HCOO]- 323.222781 192.0
[M+CH3COO]- 337.238431 201.7
[M+Na-2H]- 299.199246 173.4
[M]+ 278.22403142 176.5
[M]- 278.22512858 176.5
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