CID 14711518

3-(naphthalen-1-yl)propan-1-ol

Structural Information

Molecular Formula
C13H14O
SMILES
C1=CC=C2C(=C1)C=CC=C2CCCO
InChI
InChI=1S/C13H14O/c14-10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-3,5-7,9,14H,4,8,10H2
InChIKey
LSYAESHKCVOHFC-UHFFFAOYSA-N
Compound name
3-naphthalen-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

381
Patents

186.10446 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.11174 139.6
[M+Na]+ 209.09368 147.3
[M-H]- 185.09718 142.7
[M+NH4]+ 204.13828 159.9
[M+K]+ 225.06762 143.2
[M+H-H2O]+ 169.10172 133.7
[M+HCOO]- 231.10266 161.5
[M+CH3COO]- 245.11831 181.4
[M+Na-2H]- 207.07913 147.8
[M]+ 186.10391 139.7
[M]- 186.10501 139.7
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