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

48
Patents

278.22458 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.23186 172.6
[M+Na]+ 301.21380 176.3
[M-H]- 277.21730 173.4
[M+NH4]+ 296.25840 188.1
[M+K]+ 317.18774 172.8
[M+H-H2O]+ 261.22184 165.4
[M+HCOO]- 323.22278 192.0
[M+CH3COO]- 337.23843 201.7
[M+Na-2H]- 299.19925 173.4
[M]+ 278.22403 176.5
[M]- 278.22513 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