CID 10322

Piperonyl alcohol

Structural Information

Molecular Formula
C8H8O3
SMILES
C1OC2=C(O1)C=C(C=C2)CO
InChI
InChI=1S/C8H8O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,9H,4-5H2
InChIKey
BHUIUXNAPJIDOG-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-5-ylmethanol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

12
References

3106
Patents

152.04735 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 126.1
[M+Na]+ 175.03657 134.9
[M-H]- 151.04007 130.9
[M+NH4]+ 170.08117 147.0
[M+K]+ 191.01051 135.3
[M+H-H2O]+ 135.04461 121.7
[M+HCOO]- 197.04555 147.6
[M+CH3COO]- 211.06120 170.7
[M+Na-2H]- 173.02202 135.3
[M]+ 152.04680 127.9
[M]- 152.04790 127.9
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