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

16
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 139.4
[M+Na]+ 199.10934 146.4
[M-H]- 175.11284 142.2
[M+NH4]+ 194.15394 161.9
[M+K]+ 215.08328 142.9
[M+H-H2O]+ 159.11738 134.2
[M+HCOO]- 221.11832 161.0
[M+CH3COO]- 235.13397 178.6
[M+Na-2H]- 197.09479 144.5
[M]+ 176.11957 138.4
[M]- 176.12067 138.4
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