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

447
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 130.3
[M+Na]+ 175.07294 138.2
[M-H]- 151.07644 132.9
[M+NH4]+ 170.11754 151.1
[M+K]+ 191.04688 136.5
[M+H-H2O]+ 135.08098 125.0
[M+HCOO]- 197.08192 153.9
[M+CH3COO]- 211.09757 173.8
[M+Na-2H]- 173.05839 137.4
[M]+ 152.08317 131.6
[M]- 152.08427 131.6
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