CID 14114269

25634-94-0

Structural Information

Molecular Formula
C12H16O
SMILES
CC1(CCCC2=CC=CC=C21)CO
InChI
InChI=1S/C12H16O/c1-12(9-13)8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,13H,4,6,8-9H2,1H3
InChIKey
BVOXKRPQUJYDDZ-UHFFFAOYSA-N
Compound name
(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
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 139.1
[M+Na]+ 199.10934 152.3
[M+NH4]+ 194.15394 150.7
[M+K]+ 215.08328 142.6
[M-H]- 175.11284 142.4
[M+Na-2H]- 197.09479 147.2
[M]+ 176.11957 142.2
[M]- 176.12067 142.2
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