CID 13047

1-naphthaleneethanol

Structural Information

Molecular Formula
C12H12O
SMILES
C1=CC=C2C(=C1)C=CC=C2CCO
InChI
InChI=1S/C12H12O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2
InChIKey
RXWNCMHRJCOWDK-UHFFFAOYSA-N
Compound name
2-naphthalen-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2751
Patents

172.08882 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09610 134.8
[M+Na]+ 195.07804 143.0
[M-H]- 171.08154 138.2
[M+NH4]+ 190.12264 155.8
[M+K]+ 211.05198 139.2
[M+H-H2O]+ 155.08608 129.2
[M+HCOO]- 217.08702 157.2
[M+CH3COO]- 231.10267 178.3
[M+Na-2H]- 193.06349 143.7
[M]+ 172.08827 134.6
[M]- 172.08937 134.6
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