CID 736065

(2s)-2,5-dihydro-2-isopropyl-3,6-dimethoxypyrazine

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CC(C)[C@H]1C(=NCC(=N1)OC)OC
InChI
InChI=1S/C9H16N2O2/c1-6(2)8-9(13-4)10-5-7(11-8)12-3/h6,8H,5H2,1-4H3/t8-/m0/s1
InChIKey
FCFWEOGTZZPCTO-QMMMGPOBSA-N
Compound name
(2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1156
Patents

184.12119 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 141.0
[M+Na]+ 207.11041 149.2
[M-H]- 183.11391 142.1
[M+NH4]+ 202.15501 158.8
[M+K]+ 223.08435 148.8
[M+H-H2O]+ 167.11845 133.8
[M+HCOO]- 229.11939 161.0
[M+CH3COO]- 243.13504 182.9
[M+Na-2H]- 205.09586 145.6
[M]+ 184.12064 143.4
[M]- 184.12174 143.4
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

patents stripe