CID 585937

2-(2-hydroxy-2-p-methylphenylethyl)-3,5,6-trimethylpyrazine

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC1=CC=C(C=C1)C(CC2=NC(=C(N=C2C)C)C)O
InChI
InChI=1S/C16H20N2O/c1-10-5-7-14(8-6-10)16(19)9-15-13(4)17-11(2)12(3)18-15/h5-8,16,19H,9H2,1-4H3
InChIKey
WCRBUAFOVAUQGI-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

256.15756 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.164836 161.5
[M+Na]+ 279.146778 170.4
[M-H]- 255.150284 164.8
[M+NH4]+ 274.191383 175.8
[M+K]+ 295.120718 165.7
[M+H-H2O]+ 239.154820 153.1
[M+HCOO]- 301.155761 180.3
[M+CH3COO]- 315.171411 198.3
[M+Na-2H]- 277.132226 164.1
[M]+ 256.15701142 162.9
[M]- 256.15810858 162.9
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

patents stripe