CID 82713430

1-(hydroxymethyl)-2,3-dihydro-1h-inden-1-ol

Structural Information

Molecular Formula
C10H12O2
SMILES
C1CC(C2=CC=CC=C21)(CO)O
InChI
InChI=1S/C10H12O2/c11-7-10(12)6-5-8-3-1-2-4-9(8)10/h1-4,11-12H,5-7H2
InChIKey
JWIYXSPYLHJZCU-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)-2,3-dihydroinden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

164.08372 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.090996 134.1
[M+Na]+ 187.072938 142.5
[M-H]- 163.076444 136.3
[M+NH4]+ 182.117543 158.4
[M+K]+ 203.046878 139.1
[M+H-H2O]+ 147.080980 130.0
[M+HCOO]- 209.081921 155.0
[M+CH3COO]- 223.097571 171.6
[M+Na-2H]- 185.058386 141.0
[M]+ 164.08317142 132.3
[M]- 164.08426858 132.3
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

patents stripe