CID 122594

3,5-dimethyl-2-propylpyrazine

Structural Information

Molecular Formula
C9H14N2
SMILES
CCCC1=NC=C(N=C1C)C
InChI
InChI=1S/C9H14N2/c1-4-5-9-8(3)11-7(2)6-10-9/h6H,4-5H2,1-3H3
InChIKey
UTRAUCDSVCDVIW-UHFFFAOYSA-N
Compound name
3,5-dimethyl-2-propylpyrazine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

126
Patents

150.11569 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.12297 132.1
[M+Na]+ 173.10491 141.6
[M-H]- 149.10841 133.4
[M+NH4]+ 168.14951 151.5
[M+K]+ 189.07885 139.5
[M+H-H2O]+ 133.11295 125.3
[M+HCOO]- 195.11389 154.1
[M+CH3COO]- 209.12954 179.0
[M+Na-2H]- 171.09036 139.2
[M]+ 150.11514 133.9
[M]- 150.11624 133.9
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