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]+ 257.164836 162.3
[M+Na]+ 279.146778 168.8
[M-H]- 255.150284 164.8
[M+NH4]+ 274.191383 175.8
[M+K]+ 295.120718 164.6
[M+H-H2O]+ 239.154820 153.8
[M+HCOO]- 301.155761 179.5
[M+CH3COO]- 315.171411 194.5
[M+Na-2H]- 277.132226 167.8
[M]+ 256.15701142 161.9
[M]- 256.15810858 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.