CID 97638

4-propylcatechol

Structural Information

Molecular Formula
C9H12O2
SMILES
CCCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C9H12O2/c1-2-3-7-4-5-8(10)9(11)6-7/h4-6,10-11H,2-3H2,1H3
InChIKey
SCTPZNJTGOGSQD-UHFFFAOYSA-N
Compound name
4-propylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1242
Patents

152.08372 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 130.5
[M+Na]+ 175.07294 138.9
[M-H]- 151.07644 132.0
[M+NH4]+ 170.11754 150.9
[M+K]+ 191.04688 136.3
[M+H-H2O]+ 135.08098 125.7
[M+HCOO]- 197.08192 152.5
[M+CH3COO]- 211.09757 172.4
[M+Na-2H]- 173.05839 136.4
[M]+ 152.08317 130.3
[M]- 152.08427 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.