CID 20836329

94159-29-2

Structural Information

Molecular Formula
C11H16N2O
SMILES
CC/C=C\CCOC1=NC=CN=C1C
InChI
InChI=1S/C11H16N2O/c1-3-4-5-6-9-14-11-10(2)12-7-8-13-11/h4-5,7-8H,3,6,9H2,1-2H3/b5-4-
InChIKey
UORAVLUKRGBLPV-PLNGDYQASA-N
Compound name
2-[(Z)-hex-3-enoxy]-3-methylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.12627 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.133546 143.9
[M+Na]+ 215.115488 151.9
[M-H]- 191.118994 144.5
[M+NH4]+ 210.160093 161.1
[M+K]+ 231.089428 149.1
[M+H-H2O]+ 175.123530 136.2
[M+HCOO]- 237.124471 165.7
[M+CH3COO]- 251.140121 184.4
[M+Na-2H]- 213.100936 150.5
[M]+ 192.12572142 146.6
[M]- 192.12681858 146.6
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.