CID 73679

Hhmmpp

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CCC(C)(C1=CN=C(C(=O)N1O)CC(C)C)O
InChI
InChI=1S/C12H20N2O3/c1-5-12(4,16)10-7-13-9(6-8(2)3)11(15)14(10)17/h7-8,16-17H,5-6H2,1-4H3
InChIKey
ARNQMQXMJRUMRP-UHFFFAOYSA-N
Compound name
1-hydroxy-6-(2-hydroxybutan-2-yl)-3-(2-methylpropyl)pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

240.1474 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.154676 155.9
[M+Na]+ 263.136618 164.3
[M-H]- 239.140124 154.8
[M+NH4]+ 258.181223 170.3
[M+K]+ 279.110558 161.6
[M+H-H2O]+ 223.144660 149.5
[M+HCOO]- 285.145601 172.1
[M+CH3COO]- 299.161251 190.8
[M+Na-2H]- 261.122066 159.1
[M]+ 240.14685142 157.9
[M]- 240.14794858 157.9
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