CID 583833

55138-62-0

Structural Information

Molecular Formula

C₈H₁₀N₂

SMILES

CC1=NC=CN=C1CC=C

InChI

InChI=1S/C8H10N2/c1-3-4-8-7(2)9-5-6-10-8/h3,5-6H,1,4H2,2H3

InChIKey

AQCVFCFCPBWGSY-UHFFFAOYSA-N

Compound name

2-methyl-3-prop-2-enylpyrazine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 13
Patents: 134.0844 Da
Monoisotopic Mass: 1.3
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	126.5
[M+Na]+	157.07362	135.8
[M-H]-	133.07712	127.6
[M+NH4]+	152.11822	146.1
[M+K]+	173.04756	133.3
[M+H-H2O]+	117.08166	119.7
[M+HCOO]-	179.08260	149.0
[M+CH3COO]-	193.09825	174.0
[M+Na-2H]-	155.05907	134.8
[M]+	134.08385	126.8
[M]-	134.08495	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe