CID 5370730

2-methyl-3-(1-propenyl)pyrazine

Structural Information

Molecular Formula

C₈H₁₀N₂

SMILES

C/C=C/C1=NC=CN=C1C

InChI

InChI=1S/C8H10N2/c1-3-4-8-7(2)9-5-6-10-8/h3-6H,1-2H3/b4-3+

InChIKey

ZCGRXTTWRNXLQZ-ONEGZZNKSA-N

Compound name

2-methyl-3-[(E)-prop-1-enyl]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 134.0844 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	135.09168	126.8
[M+Na]+	157.07362	136.1
[M-H]-	133.07712	127.9
[M+NH4]+	152.11822	146.4
[M+K]+	173.04756	133.7
[M+H-H2O]+	117.08166	120.0
[M+HCOO]-	179.08260	149.3
[M+CH3COO]-	193.09825	173.3
[M+Na-2H]-	155.05907	135.1
[M]+	134.08385	127.0
[M]-	134.08495	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe