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]+ 165.09100 134.1
[M+Na]+ 187.07294 142.5
[M-H]- 163.07644 136.3
[M+NH4]+ 182.11754 158.4
[M+K]+ 203.04688 139.1
[M+H-H2O]+ 147.08098 130.0
[M+HCOO]- 209.08192 155.0
[M+CH3COO]- 223.09757 171.6
[M+Na-2H]- 185.05839 141.0
[M]+ 164.08317 132.3
[M]- 164.08427 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