CID 82483

4-methyl-1-naphthol

Structural Information

Molecular Formula
C11H10O
SMILES
CC1=CC=C(C2=CC=CC=C12)O
InChI
InChI=1S/C11H10O/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-7,12H,1H3
InChIKey
ZSUDUDXOEGHEJR-UHFFFAOYSA-N
Compound name
4-methylnaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2007
Patents

158.07317 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.08045 129.8
[M+Na]+ 181.06239 139.3
[M-H]- 157.06589 133.7
[M+NH4]+ 176.10699 151.6
[M+K]+ 197.03633 135.8
[M+H-H2O]+ 141.07043 124.6
[M+HCOO]- 203.07137 152.4
[M+CH3COO]- 217.08702 176.4
[M+Na-2H]- 179.04784 138.5
[M]+ 158.07262 129.6
[M]- 158.07372 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