CID 13055557

4-(1-hydroxypropyl)phenol

Structural Information

Molecular Formula
C9H12O2
SMILES
CCC(C1=CC=C(C=C1)O)O
InChI
InChI=1S/C9H12O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9-11H,2H2,1H3
InChIKey
WEKMUBUZJDWJIR-UHFFFAOYSA-N
Compound name
4-(1-hydroxypropyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

250
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 131.4
[M+Na]+ 175.07294 138.6
[M-H]- 151.07644 132.6
[M+NH4]+ 170.11754 151.4
[M+K]+ 191.04688 136.4
[M+H-H2O]+ 135.08098 126.5
[M+HCOO]- 197.08192 152.4
[M+CH3COO]- 211.09757 172.1
[M+Na-2H]- 173.05839 136.7
[M]+ 152.08317 130.2
[M]- 152.08427 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