CID 386772

Nsc679450

Structural Information

Molecular Formula
C9H12N4
SMILES
C=CCN1CC2CN=NC2(C1)C#N
InChI
InChI=1S/C9H12N4/c1-2-3-13-5-8-4-11-12-9(8,6-10)7-13/h2,8H,1,3-5,7H2
InChIKey
QFEBIOGXODKQAX-UHFFFAOYSA-N
Compound name
5-prop-2-enyl-3,3a,4,6-tetrahydropyrrolo[3,4-c]pyrazole-6a-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.1062 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.113476 135.1
[M+Na]+ 199.095418 145.7
[M-H]- 175.098924 134.5
[M+NH4]+ 194.140023 155.0
[M+K]+ 215.069358 141.0
[M+H-H2O]+ 159.103460 120.4
[M+HCOO]- 221.104401 151.0
[M+CH3COO]- 235.120051 146.3
[M+Na-2H]- 197.080866 139.3
[M]+ 176.10565142 128.8
[M]- 176.10674858 128.8
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.