CID 98036

68480-12-6

Structural Information

Molecular Formula
C12H16O
SMILES
C1CC(C2=CC=CC=C2C1)CCO
InChI
InChI=1S/C12H16O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-2,4,7,11,13H,3,5-6,8-9H2
InChIKey
AIHUOSMQBXJRER-UHFFFAOYSA-N
Compound name
2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
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 138.1
[M+Na]+ 199.10934 144.1
[M-H]- 175.11284 140.6
[M+NH4]+ 194.15394 158.7
[M+K]+ 215.08328 140.7
[M+H-H2O]+ 159.11738 132.4
[M+HCOO]- 221.11832 157.4
[M+CH3COO]- 235.13397 179.0
[M+Na-2H]- 197.09479 144.8
[M]+ 176.11957 134.9
[M]- 176.12067 134.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe