CID 12646172

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

Structural Information

Molecular Formula
C12H16O
SMILES
C1CC2=C(C1)C=C(C=C2)CCCO
InChI
InChI=1S/C12H16O/c13-8-2-3-10-6-7-11-4-1-5-12(11)9-10/h6-7,9,13H,1-5,8H2
InChIKey
AFPDTRFNRJNPSI-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

176.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 139.1
[M+Na]+ 199.10934 150.9
[M+NH4]+ 194.15394 149.0
[M+K]+ 215.08328 145.1
[M-H]- 175.11284 141.6
[M+Na-2H]- 197.09479 144.6
[M]+ 176.11957 141.4
[M]- 176.12067 141.4
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