CID 262060

2-propylbenzene-1,3-diol

Structural Information

Molecular Formula
C9H12O2
SMILES
CCCC1=C(C=CC=C1O)O
InChI
InChI=1S/C9H12O2/c1-2-4-7-8(10)5-3-6-9(7)11/h3,5-6,10-11H,2,4H2,1H3
InChIKey
XDCMHOFEBFTMNL-UHFFFAOYSA-N
Compound name
2-propylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1770
Patents

152.08372 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 130.7
[M+Na]+ 175.07294 143.4
[M+NH4]+ 170.11754 139.1
[M+K]+ 191.04688 137.4
[M-H]- 151.07644 132.2
[M+Na-2H]- 173.05839 137.0
[M]+ 152.08317 132.8
[M]- 152.08427 132.8
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