CID 10986874

172542-26-6

Structural Information

Molecular Formula
C10H12O3
SMILES
C[C@@H](CC1=CC2=C(C=C1)OCO2)O
InChI
InChI=1S/C10H12O3/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7,11H,4,6H2,1H3/t7-/m0/s1
InChIKey
RVMKZYKJYMJYDG-ZETCQYMHSA-N
Compound name
(2S)-1-(1,3-benzodioxol-5-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

180.07864 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.1
[M+Na]+ 203.06786 147.8
[M+NH4]+ 198.11246 144.8
[M+K]+ 219.04180 145.0
[M-H]- 179.07136 140.0
[M+Na-2H]- 201.05331 139.9
[M]+ 180.07809 138.8
[M]- 180.07919 138.8
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