CID 266742

2-(3-hydroxypropyl)phenol

Structural Information

Molecular Formula
C9H12O2
SMILES
C1=CC=C(C(=C1)CCCO)O
InChI
InChI=1S/C9H12O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6,10-11H,3,5,7H2
InChIKey
TYNMOIYXEIAPHL-UHFFFAOYSA-N
Compound name
2-(3-hydroxypropyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

722
Patents

152.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 131.0
[M+Na]+ 175.07294 138.5
[M-H]- 151.07644 132.1
[M+NH4]+ 170.11754 151.1
[M+K]+ 191.04688 135.8
[M+H-H2O]+ 135.08098 126.0
[M+HCOO]- 197.08192 153.1
[M+CH3COO]- 211.09757 171.2
[M+Na-2H]- 173.05839 137.6
[M]+ 152.08317 130.5
[M]- 152.08427 130.5
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

No patent data available for this compound.