CID 3022866

Dtxsid30917218

Structural Information

Molecular Formula
C11H18N2O
SMILES
CCCCCCOCC1=NC=CN=C1
InChI
InChI=1S/C11H18N2O/c1-2-3-4-5-8-14-10-11-9-12-6-7-13-11/h6-7,9H,2-5,8,10H2,1H3
InChIKey
ZSILTVKCSQSZEU-UHFFFAOYSA-N
Compound name
2-(hexoxymethyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.1419 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.149176 145.1
[M+Na]+ 217.131118 151.7
[M-H]- 193.134624 145.2
[M+NH4]+ 212.175723 161.9
[M+K]+ 233.105058 149.6
[M+H-H2O]+ 177.139160 137.0
[M+HCOO]- 239.140101 166.6
[M+CH3COO]- 253.155751 184.8
[M+Na-2H]- 215.116566 152.4
[M]+ 194.14135142 148.2
[M]- 194.14244858 148.2
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

No patent data available for this compound.