CID 44147737

2-(isononylphenoxy)ethanol

Structural Information

Molecular Formula
C17H28O2
SMILES
CC(C)CCCCCCC1=CC=CC=C1OCCO
InChI
InChI=1S/C17H28O2/c1-15(2)9-5-3-4-6-10-16-11-7-8-12-17(16)19-14-13-18/h7-8,11-12,15,18H,3-6,9-10,13-14H2,1-2H3
InChIKey
YWFWPJLGQZVOCG-UHFFFAOYSA-N
Compound name
2-[2-(7-methyloctyl)phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
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 168.0
[M+Na]+ 287.19814 172.1
[M-H]- 263.20164 169.0
[M+NH4]+ 282.24274 184.1
[M+K]+ 303.17208 168.9
[M+H-H2O]+ 247.20618 161.1
[M+HCOO]- 309.20712 187.8
[M+CH3COO]- 323.22277 198.8
[M+Na-2H]- 285.18359 169.3
[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

No patent data available for this compound.