CID 518790

2,5-dimethyl-3-isopropylpyrazine

Structural Information

Molecular Formula
C9H14N2
SMILES
CC1=CN=C(C(=N1)C(C)C)C
InChI
InChI=1S/C9H14N2/c1-6(2)9-8(4)10-5-7(3)11-9/h5-6H,1-4H3
InChIKey
NJTFLPVGROFSPU-UHFFFAOYSA-N
Compound name
2,5-dimethyl-3-propan-2-ylpyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

67
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 132.0
[M+Na]+ 173.10491 141.3
[M-H]- 149.10841 133.5
[M+NH4]+ 168.14951 151.3
[M+K]+ 189.07885 139.6
[M+H-H2O]+ 133.11295 125.3
[M+HCOO]- 195.11389 153.0
[M+CH3COO]- 209.12954 179.9
[M+Na-2H]- 171.09036 137.9
[M]+ 150.11514 133.2
[M]- 150.11624 133.2
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