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]+ 153.090996 131.0
[M+Na]+ 175.072938 138.5
[M-H]- 151.076444 132.1
[M+NH4]+ 170.117543 151.1
[M+K]+ 191.046878 135.8
[M+H-H2O]+ 135.080980 126.0
[M+HCOO]- 197.081921 153.1
[M+CH3COO]- 211.097571 171.2
[M+Na-2H]- 173.058386 137.6
[M]+ 152.08317142 130.5
[M]- 152.08426858 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

literature stripe

Patent stripe

patents stripe