CID 387734

Nsc681763

Structural Information

Molecular Formula
C12H14N4
SMILES
CCCC1=C(C(=C(N1CC=C)N)C#N)C#N
InChI
InChI=1S/C12H14N4/c1-3-5-11-9(7-13)10(8-14)12(15)16(11)6-4-2/h4H,2-3,5-6,15H2,1H3
InChIKey
VPTQGQRETKPMSL-UHFFFAOYSA-N
Compound name
2-amino-1-prop-2-enyl-5-propylpyrrole-3,4-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12184 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.129116 157.6
[M+Na]+ 237.111058 167.3
[M-H]- 213.114564 159.7
[M+NH4]+ 232.155663 169.9
[M+K]+ 253.084998 163.9
[M+H-H2O]+ 197.119100 141.5
[M+HCOO]- 259.120041 169.9
[M+CH3COO]- 273.135691 222.1
[M+Na-2H]- 235.096506 156.8
[M]+ 214.12129142 149.8
[M]- 214.12238858 149.8
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.