CID 70775

1126-61-0

Structural Information

Molecular Formula
C9H10O2
SMILES
C=CCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C9H10O2/c1-2-3-7-4-5-8(10)9(11)6-7/h2,4-6,10-11H,1,3H2
InChIKey
FHEHIXJLCWUPCZ-UHFFFAOYSA-N
Compound name
4-prop-2-enylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

62
References

2116
Patents

150.06808 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 129.1
[M+Na]+ 173.05730 137.8
[M-H]- 149.06080 130.6
[M+NH4]+ 168.10190 149.5
[M+K]+ 189.03124 134.6
[M+H-H2O]+ 133.06534 124.4
[M+HCOO]- 195.06628 151.3
[M+CH3COO]- 209.08193 171.5
[M+Na-2H]- 171.04275 135.0
[M]+ 150.06753 128.2
[M]- 150.06863 128.2
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.