CID 6428802

6,7-dihydro-2,3-dimethyl-5h-cyclopentapyrazine

Structural Information

Molecular Formula
C9H12N2
SMILES
CC1=C(N=C2CCCC2=N1)C
InChI
InChI=1S/C9H12N2/c1-6-7(2)11-9-5-3-4-8(9)10-6/h3-5H2,1-2H3
InChIKey
AIKNQWWUQFXNAZ-UHFFFAOYSA-N
Compound name
2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyrazine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

41
Patents

148.10005 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.107326 130.5
[M+Na]+ 171.089268 140.3
[M-H]- 147.092774 132.7
[M+NH4]+ 166.133873 152.6
[M+K]+ 187.063208 137.8
[M+H-H2O]+ 131.097310 123.9
[M+HCOO]- 193.098251 151.8
[M+CH3COO]- 207.113901 144.6
[M+Na-2H]- 169.074716 136.8
[M]+ 148.09950142 130.4
[M]- 148.10059858 130.4
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

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