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]+ 177.11348 135.1
[M+Na]+ 199.09542 145.7
[M-H]- 175.09892 134.5
[M+NH4]+ 194.14002 155.0
[M+K]+ 215.06936 141.0
[M+H-H2O]+ 159.10346 120.4
[M+HCOO]- 221.10440 151.0
[M+CH3COO]- 235.12005 146.3
[M+Na-2H]- 197.08087 139.3
[M]+ 176.10565 128.8
[M]- 176.10675 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.