CID 22539

2-(2-methylphenoxy)ethanol

Structural Information

Molecular Formula
C9H12O2
SMILES
CC1=CC=CC=C1OCCO
InChI
InChI=1S/C9H12O2/c1-8-4-2-3-5-9(8)11-7-6-10/h2-5,10H,6-7H2,1H3
InChIKey
KWYCFJCICXFNEK-UHFFFAOYSA-N
Compound name
2-(2-methylphenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

390
Patents

152.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 130.6
[M+Na]+ 175.07294 143.5
[M+NH4]+ 170.11754 139.4
[M+K]+ 191.04688 137.0
[M-H]- 151.07644 132.6
[M+Na-2H]- 173.05839 137.7
[M]+ 152.08317 133.0
[M]- 152.08427 133.0
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