CID 13046671

{6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-yl}methanol

Structural Information

Molecular Formula
C12H16O
SMILES
C1CCC2=CC=CC=C2C(C1)CO
InChI
InChI=1S/C12H16O/c13-9-11-7-2-1-5-10-6-3-4-8-12(10)11/h3-4,6,8,11,13H,1-2,5,7,9H2
InChIKey
YTBDVHKKNMOOLZ-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

176.12012 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.127396 134.7
[M+Na]+ 199.109338 139.2
[M-H]- 175.112844 138.6
[M+NH4]+ 194.153943 154.1
[M+K]+ 215.083278 140.1
[M+H-H2O]+ 159.117380 130.8
[M+HCOO]- 221.118321 153.6
[M+CH3COO]- 235.133971 146.7
[M+Na-2H]- 197.094786 141.2
[M]+ 176.11957142 128.7
[M]- 176.12066858 128.7
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