CID 379207

102206-80-4

Structural Information

Molecular Formula
C12H12N6O
SMILES
COCCCNC1=C(C(=C(C(=N1)N)C#N)C#N)C#N
InChI
InChI=1S/C12H12N6O/c1-19-4-2-3-17-12-10(7-15)8(5-13)9(6-14)11(16)18-12/h2-4H2,1H3,(H3,16,17,18)
InChIKey
IPXPYYWXAZZTMO-UHFFFAOYSA-N
Compound name
2-amino-6-(3-methoxypropylamino)pyridine-3,4,5-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10727 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11455 168.6
[M+Na]+ 279.09649 175.0
[M-H]- 255.09999 171.1
[M+NH4]+ 274.14109 174.2
[M+K]+ 295.07043 173.7
[M+H-H2O]+ 239.10453 154.8
[M+HCOO]- 301.10547 173.9
[M+CH3COO]- 315.12112 241.2
[M+Na-2H]- 277.08194 166.8
[M]+ 256.10672 160.8
[M]- 256.10782 160.8
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.