CID 90902

1-(3-methoxyphenyl)ethanol

Structural Information

Molecular Formula
C9H12O2
SMILES
CC(C1=CC(=CC=C1)OC)O
InChI
InChI=1S/C9H12O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-7,10H,1-2H3
InChIKey
ZUBPFBWAXNCEOG-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

324
Patents

152.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 130.6
[M+Na]+ 175.07294 138.2
[M-H]- 151.07644 133.2
[M+NH4]+ 170.11754 151.3
[M+K]+ 191.04688 137.0
[M+H-H2O]+ 135.08098 125.4
[M+HCOO]- 197.08192 153.2
[M+CH3COO]- 211.09757 174.7
[M+Na-2H]- 173.05839 136.4
[M]+ 152.08317 131.3
[M]- 152.08427 131.3
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