CID 89144

Bis(2,6-dimethylphenyl)methanol

Structural Information

Molecular Formula
C17H20O
SMILES
CC1=C(C(=CC=C1)C)C(C2=C(C=CC=C2C)C)O
InChI
InChI=1S/C17H20O/c1-11-7-5-8-12(2)15(11)17(18)16-13(3)9-6-10-14(16)4/h5-10,17-18H,1-4H3
InChIKey
OKFOGGVYBGIWSE-UHFFFAOYSA-N
Compound name
bis(2,6-dimethylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

240.15141 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15869 155.4
[M+Na]+ 263.14063 163.8
[M-H]- 239.14413 161.6
[M+NH4]+ 258.18523 173.1
[M+K]+ 279.11457 159.6
[M+H-H2O]+ 223.14867 148.9
[M+HCOO]- 285.14961 176.6
[M+CH3COO]- 299.16526 196.0
[M+Na-2H]- 261.12608 157.5
[M]+ 240.15086 156.2
[M]- 240.15196 156.2
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