CID 44153182

2-(isooctylphenoxy)ethanol

Structural Information

Molecular Formula
C16H26O2
SMILES
CC(C)CCCCCC1=CC=CC=C1OCCO
InChI
InChI=1S/C16H26O2/c1-14(2)8-4-3-5-9-15-10-6-7-11-16(15)18-13-12-17/h6-7,10-11,14,17H,3-5,8-9,12-13H2,1-2H3
InChIKey
SMCOUSXSTLPDQA-UHFFFAOYSA-N
Compound name
2-[2-(6-methylheptyl)phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

258
Patents

250.19328 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 163.4
[M+Na]+ 273.18250 168.0
[M-H]- 249.18600 164.6
[M+NH4]+ 268.22710 180.1
[M+K]+ 289.15644 164.9
[M+H-H2O]+ 233.19054 156.7
[M+HCOO]- 295.19148 183.5
[M+CH3COO]- 309.20713 195.8
[M+Na-2H]- 271.16795 165.3
[M]+ 250.19273 166.6
[M]- 250.19383 166.6
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