CID 77936

2-indanol

Structural Information

Molecular Formula
C9H10O
SMILES
C1C(CC2=CC=CC=C21)O
InChI
InChI=1S/C9H10O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6H2
InChIKey
KMGCKSAIIHOKCX-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-inden-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

2197
Patents

134.07317 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08045 125.2
[M+Na]+ 157.06239 133.6
[M-H]- 133.06589 128.6
[M+NH4]+ 152.10699 149.5
[M+K]+ 173.03633 130.8
[M+H-H2O]+ 117.07043 120.6
[M+HCOO]- 179.07137 147.8
[M+CH3COO]- 193.08702 169.6
[M+Na-2H]- 155.04784 132.1
[M]+ 134.07262 123.2
[M]- 134.07372 123.2
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