CID 23498439

4-(2-hydroxypropyl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

152.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 131.4
[M+Na]+ 175.072938 138.6
[M-H]- 151.076444 132.6
[M+NH4]+ 170.117543 151.4
[M+K]+ 191.046878 136.4
[M+H-H2O]+ 135.080980 126.5
[M+HCOO]- 197.081921 152.4
[M+CH3COO]- 211.097571 172.1
[M+Na-2H]- 173.058386 136.7
[M]+ 152.08317142 130.2
[M]- 152.08426858 130.2
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