CID 7365222

(5r)-5-methyl-2,5,6,7-tetrahydro-1h-cyclopenta[b]pyrazine

Structural Information

Molecular Formula
C8H12N2
SMILES
C[C@@H]1CCC2=C1N=CCN2
InChI
InChI=1S/C8H12N2/c1-6-2-3-7-8(6)10-5-4-9-7/h5-6,9H,2-4H2,1H3/t6-/m1/s1
InChIKey
COSMFKAROKURLX-ZCFIWIBFSA-N
Compound name
(5R)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

136.10005 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.107326 128.6
[M+Na]+ 159.089268 136.4
[M-H]- 135.092774 128.8
[M+NH4]+ 154.133873 150.0
[M+K]+ 175.063208 133.5
[M+H-H2O]+ 119.097310 122.0
[M+HCOO]- 181.098251 147.2
[M+CH3COO]- 195.113901 141.4
[M+Na-2H]- 157.074716 134.6
[M]+ 136.09950142 124.4
[M]- 136.10059858 124.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe