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

8
Patents

176.12012 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 134.7
[M+Na]+ 199.10934 139.2
[M-H]- 175.11284 138.6
[M+NH4]+ 194.15394 154.1
[M+K]+ 215.08328 140.1
[M+H-H2O]+ 159.11738 130.8
[M+HCOO]- 221.11832 153.6
[M+CH3COO]- 235.13397 146.7
[M+Na-2H]- 197.09479 141.2
[M]+ 176.11957 128.7
[M]- 176.12067 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