CID 29352

4-propoxyphenol

Structural Information

Molecular Formula
C9H12O2
SMILES
CCCOC1=CC=C(C=C1)O
InChI
InChI=1S/C9H12O2/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6,10H,2,7H2,1H3
InChIKey
KIIIPQXXLVCCQP-UHFFFAOYSA-N
Compound name
4-propoxyphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

3413
Patents

152.08372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 130.3
[M+Na]+ 175.072938 138.2
[M-H]- 151.076444 132.9
[M+NH4]+ 170.117543 151.1
[M+K]+ 191.046878 136.5
[M+H-H2O]+ 135.080980 125.0
[M+HCOO]- 197.081921 153.9
[M+CH3COO]- 211.097571 173.8
[M+Na-2H]- 173.058386 137.4
[M]+ 152.08317142 131.6
[M]- 152.08426858 131.6
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