CID 292101

Allylpyrocatechol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

28
References

929
Patents

150.06808 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe