CID 172173

Lesiumnefjxngw-uhfffaoysa-n

Structural Information

Molecular Formula
C17H28O2
SMILES
CCCCCCCCCC1=CC(=CC=C1)OCCO
InChI
InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-10-16-11-9-12-17(15-16)19-14-13-18/h9,11-12,15,18H,2-8,10,13-14H2,1H3
InChIKey
PPDGBWCKAGJAMC-UHFFFAOYSA-N
Compound name
2-(3-nonylphenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

264.20892 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.21620 166.9
[M+Na]+ 287.19814 178.1
[M+NH4]+ 282.24274 174.3
[M+K]+ 303.17208 169.6
[M-H]- 263.20164 168.5
[M+Na-2H]- 285.18359 171.8
[M]+ 264.20837 168.9
[M]- 264.20947 168.9
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