CID 595263

Trimethyl-2-propenylpyrazine

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

CC1=C(N=C(C(=N1)C)CC=C)C

InChI

InChI=1S/C10H14N2/c1-5-6-10-9(4)11-7(2)8(3)12-10/h5H,1,6H2,2-4H3

InChIKey

ZFPORMYSWAHSAQ-UHFFFAOYSA-N

Compound name

2,3,5-trimethyl-6-prop-2-enylpyrazine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 18
Patents: 162.11569 Da
Monoisotopic Mass: 2.1
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]+	163.12297	134.8
[M+Na]+	185.10491	145.1
[M-H]-	161.10841	136.4
[M+NH4]+	180.14951	153.9
[M+K]+	201.07885	142.2
[M+H-H2O]+	145.11295	128.1
[M+HCOO]-	207.11389	156.6
[M+CH3COO]-	221.12954	182.3
[M+Na-2H]-	183.09036	140.6
[M]+	162.11514	136.6
[M]-	162.11624	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe