CID 22345682

Schembl2437604

Structural Information

Molecular Formula
C16H26O2
SMILES
CC(C)(C)CC(C)(C)C1=CC=CC=C1OCCO
InChI
InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-8-6-7-9-14(13)18-11-10-17/h6-9,17H,10-12H2,1-5H3
InChIKey
IDOQDZANRZQBTP-UHFFFAOYSA-N
Compound name
2-[2-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8067
Patents

250.19328 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.200556 162.4
[M+Na]+ 273.182498 168.3
[M-H]- 249.186004 164.4
[M+NH4]+ 268.227103 179.6
[M+K]+ 289.156438 165.8
[M+H-H2O]+ 233.190540 157.1
[M+HCOO]- 295.191481 180.5
[M+CH3COO]- 309.207131 195.2
[M+Na-2H]- 271.167946 167.4
[M]+ 250.19273142 165.3
[M]- 250.19382858 165.3
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