CID 73877

2-naphthaleneethanol

Structural Information

Molecular Formula
C12H12O
SMILES
C1=CC=C2C=C(C=CC2=C1)CCO
InChI
InChI=1S/C12H12O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9,13H,7-8H2
InChIKey
VCZANYLMPFRUHG-UHFFFAOYSA-N
Compound name
2-naphthalen-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1240
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