CID 2761013

849021-31-4

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC(C)(C)C1=CC=C(C=C1)C(CC2=NC=NC=C2)O
InChI
InChI=1S/C16H20N2O/c1-16(2,3)13-6-4-12(5-7-13)15(19)10-14-8-9-17-11-18-14/h4-9,11,15,19H,10H2,1-3H3
InChIKey
PENPEXKNMMNVKA-UHFFFAOYSA-N
Compound name
1-(4-tert-butylphenyl)-2-pyrimidin-4-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 162.3
[M+Na]+ 279.14678 168.8
[M-H]- 255.15028 164.8
[M+NH4]+ 274.19138 175.8
[M+K]+ 295.12072 164.6
[M+H-H2O]+ 239.15482 153.8
[M+HCOO]- 301.15576 179.5
[M+CH3COO]- 315.17141 194.5
[M+Na-2H]- 277.13223 167.8
[M]+ 256.15701 161.9
[M]- 256.15811 161.9
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

No patent data available for this compound.