CID 12580928

4-methylnaphthalen-2-ol

Structural Information

Molecular Formula
C11H10O
SMILES
CC1=CC(=CC2=CC=CC=C12)O
InChI
InChI=1S/C11H10O/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h2-7,12H,1H3
InChIKey
RIOSCUNPEBJRRM-UHFFFAOYSA-N
Compound name
4-methylnaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

258
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

No literature data available for this compound.

Patent stripe

patents stripe