CID 172173

68511-21-7

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

10
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 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

No literature data available for this compound.

Patent stripe

patents stripe