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]+ 215.12912 157.6
[M+Na]+ 237.11106 167.3
[M-H]- 213.11456 159.7
[M+NH4]+ 232.15566 169.9
[M+K]+ 253.08500 163.9
[M+H-H2O]+ 197.11910 141.5
[M+HCOO]- 259.12004 169.9
[M+CH3COO]- 273.13569 222.1
[M+Na-2H]- 235.09651 156.8
[M]+ 214.12129 149.8
[M]- 214.12239 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.