CID 7700

2-(4-nonylphenoxy)ethanol

Structural Information

Molecular Formula
C17H28O2
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCO
InChI
InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-15-14-18/h10-13,18H,2-9,14-15H2,1H3
InChIKey
KUXGUCNZFCVULO-UHFFFAOYSA-N
Compound name
2-(4-nonylphenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

702
References

9925
Patents

264.20892 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.21620 167.3
[M+Na]+ 287.19814 171.7
[M-H]- 263.20164 168.3
[M+NH4]+ 282.24274 183.5
[M+K]+ 303.17208 168.0
[M+H-H2O]+ 247.20618 160.3
[M+HCOO]- 309.20712 188.2
[M+CH3COO]- 323.22277 198.0
[M+Na-2H]- 285.18359 170.0
[M]+ 264.20837 171.5
[M]- 264.20947 171.5
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