CID 82452

3-(4-hydroxyphenyl)-1-propanol

Structural Information

Molecular Formula
C9H12O2
SMILES
C1=CC(=CC=C1CCCO)O
InChI
InChI=1S/C9H12O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,10-11H,1-2,7H2
InChIKey
NJCVPQRHRKYSAZ-UHFFFAOYSA-N
Compound name
4-(3-hydroxypropyl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

1355
Patents

152.08372 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

patents stripe