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]+ 257.114546 168.6
[M+Na]+ 279.096488 175.0
[M-H]- 255.099994 171.1
[M+NH4]+ 274.141093 174.2
[M+K]+ 295.070428 173.7
[M+H-H2O]+ 239.104530 154.8
[M+HCOO]- 301.105471 173.9
[M+CH3COO]- 315.121121 241.2
[M+Na-2H]- 277.081936 166.8
[M]+ 256.10672142 160.8
[M]- 256.10781858 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.