CID 383016

Nsc671000

Structural Information

Molecular Formula
C10H13N3O
SMILES
CC1CC(=O)N2CCCNC2=C1C#N
InChI
InChI=1S/C10H13N3O/c1-7-5-9(14)13-4-2-3-12-10(13)8(7)6-11/h7,12H,2-5H2,1H3
InChIKey
DUGFFDJDTHORCC-UHFFFAOYSA-N
Compound name
8-methyl-6-oxo-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidine-9-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.10587 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 140.0
[M+Na]+ 214.09509 149.0
[M-H]- 190.09859 139.5
[M+NH4]+ 209.13969 155.6
[M+K]+ 230.06903 144.0
[M+H-H2O]+ 174.10313 126.7
[M+HCOO]- 236.10407 151.8
[M+CH3COO]- 250.11972 194.0
[M+Na-2H]- 212.08054 144.2
[M]+ 191.10532 129.8
[M]- 191.10642 129.8
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

No patent data available for this compound.