CID 3019466

Einecs 281-273-5

Structural Information

Molecular Formula
C18H24O
SMILES
CC(C)(C)C1=CC2=CC=CC=C2C(=C1O)C(C)(C)C
InChI
InChI=1S/C18H24O/c1-17(2,3)14-11-12-9-7-8-10-13(12)15(16(14)19)18(4,5)6/h7-11,19H,1-6H3
InChIKey
QOXKLMBZSCTWLR-UHFFFAOYSA-N
Compound name
1,3-ditert-butylnaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

256.1827 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.189976 162.4
[M+Na]+ 279.171918 170.8
[M-H]- 255.175424 166.2
[M+NH4]+ 274.216523 181.0
[M+K]+ 295.145858 166.8
[M+H-H2O]+ 239.179960 157.4
[M+HCOO]- 301.180901 179.4
[M+CH3COO]- 315.196551 198.4
[M+Na-2H]- 277.157366 168.2
[M]+ 256.18215142 164.0
[M]- 256.18324858 164.0
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