CID 245267

7-methylnaphthalen-1-ol

Structural Information

Molecular Formula
C11H10O
SMILES
CC1=CC2=C(C=CC=C2O)C=C1
InChI
InChI=1S/C11H10O/c1-8-5-6-9-3-2-4-11(12)10(9)7-8/h2-7,12H,1H3
InChIKey
NSVIJCUSYBZPTA-UHFFFAOYSA-N
Compound name
7-methylnaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

158.07317 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.080446 129.8
[M+Na]+ 181.062388 139.3
[M-H]- 157.065894 133.7
[M+NH4]+ 176.106993 151.6
[M+K]+ 197.036328 135.8
[M+H-H2O]+ 141.070430 124.6
[M+HCOO]- 203.071371 152.4
[M+CH3COO]- 217.087021 176.4
[M+Na-2H]- 179.047836 138.5
[M]+ 158.07262142 129.6
[M]- 158.07371858 129.6
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