CID 330183

(2,3-dihydro-1h-inden-5-yl)methanol

Structural Information

Molecular Formula
C10H12O
SMILES
C1CC2=C(C1)C=C(C=C2)CO
InChI
InChI=1S/C10H12O/c11-7-8-4-5-9-2-1-3-10(9)6-8/h4-6,11H,1-3,7H2
InChIKey
SJKGAFDWIVOCSE-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-inden-5-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

148.08882 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.096096 129.9
[M+Na]+ 171.078038 137.9
[M-H]- 147.081544 133.2
[M+NH4]+ 166.122643 153.6
[M+K]+ 187.051978 134.8
[M+H-H2O]+ 131.086080 125.2
[M+HCOO]- 193.087021 152.2
[M+CH3COO]- 207.102671 172.6
[M+Na-2H]- 169.063486 136.2
[M]+ 148.08827142 128.3
[M]- 148.08936858 128.3
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