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

13
Patents

176.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.127396 139.4
[M+Na]+ 199.109338 146.4
[M-H]- 175.112844 142.2
[M+NH4]+ 194.153943 161.9
[M+K]+ 215.083278 142.9
[M+H-H2O]+ 159.117380 134.2
[M+HCOO]- 221.118321 161.0
[M+CH3COO]- 235.133971 178.6
[M+Na-2H]- 197.094786 144.5
[M]+ 176.11957142 138.4
[M]- 176.12066858 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