CID 5371957

3,5-dimethyl-2-(1-propenyl)pyrazine

Structural Information

Molecular Formula
C9H12N2
SMILES
C/C=C/C1=NC=C(N=C1C)C
InChI
InChI=1S/C9H12N2/c1-4-5-9-8(3)11-7(2)6-10-9/h4-6H,1-3H3/b5-4+
InChIKey
NDDMVJXHROIJBV-SNAWJCMRSA-N
Compound name
3,5-dimethyl-2-[(E)-prop-1-enyl]pyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

148.10005 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 130.9
[M+Na]+ 171.08927 140.8
[M-H]- 147.09277 132.3
[M+NH4]+ 166.13387 150.4
[M+K]+ 187.06321 138.1
[M+H-H2O]+ 131.09731 124.2
[M+HCOO]- 193.09825 153.2
[M+CH3COO]- 207.11390 177.4
[M+Na-2H]- 169.07472 138.0
[M]+ 148.09950 131.9
[M]- 148.10060 131.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe