CID 585936

2-(2-hydroxy-2-phenylethyl)-3,5,6-trimethylpyrazine

Structural Information

Molecular Formula
C15H18N2O
SMILES
CC1=C(N=C(C(=N1)C)CC(C2=CC=CC=C2)O)C
InChI
InChI=1S/C15H18N2O/c1-10-11(2)17-14(12(3)16-10)9-15(18)13-7-5-4-6-8-13/h4-8,15,18H,9H2,1-3H3
InChIKey
LOVSABZZXLEOGD-UHFFFAOYSA-N
Compound name
1-phenyl-2-(3,5,6-trimethylpyrazin-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

242.1419 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.149176 157.1
[M+Na]+ 265.131118 165.5
[M-H]- 241.134624 160.2
[M+NH4]+ 260.175723 171.6
[M+K]+ 281.105058 161.0
[M+H-H2O]+ 225.139160 148.7
[M+HCOO]- 287.140101 176.2
[M+CH3COO]- 301.155751 194.1
[M+Na-2H]- 263.116566 161.0
[M]+ 242.14135142 157.7
[M]- 242.14244858 157.7
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.