CID 83611

2-(3-methylphenoxy)ethanol

Structural Information

Molecular Formula
C9H12O2
SMILES
CC1=CC(=CC=C1)OCCO
InChI
InChI=1S/C9H12O2/c1-8-3-2-4-9(7-8)11-6-5-10/h2-4,7,10H,5-6H2,1H3
InChIKey
FDBXUXVQIOQYIX-UHFFFAOYSA-N
Compound name
2-(3-methylphenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

417
Patents

152.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 130.3
[M+Na]+ 175.072938 138.2
[M-H]- 151.076444 132.9
[M+NH4]+ 170.117543 151.1
[M+K]+ 191.046878 136.5
[M+H-H2O]+ 135.080980 125.0
[M+HCOO]- 197.081921 153.9
[M+CH3COO]- 211.097571 173.8
[M+Na-2H]- 173.058386 137.4
[M]+ 152.08317142 131.6
[M]- 152.08426858 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

No literature data available for this compound.

Patent stripe

patents stripe