CID 2804230

Maybridge3_000913

Structural Information

Molecular Formula
C12H16N4
SMILES
C=C(CN1CCN(CC1)CC(=C)C#N)C#N
InChI
InChI=1S/C12H16N4/c1-11(7-13)9-15-3-5-16(6-4-15)10-12(2)8-14/h1-6,9-10H2
InChIKey
CGVYGVZQPVUVKB-UHFFFAOYSA-N
Compound name
2-[[4-(2-cyanoprop-2-enyl)piperazin-1-yl]methyl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

216.1375 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.144776 154.8
[M+Na]+ 239.126718 161.3
[M-H]- 215.130224 155.1
[M+NH4]+ 234.171323 164.6
[M+K]+ 255.100658 158.1
[M+H-H2O]+ 199.134760 138.0
[M+HCOO]- 261.135701 161.7
[M+CH3COO]- 275.151351 220.0
[M+Na-2H]- 237.112166 154.3
[M]+ 216.13695142 143.4
[M]- 216.13804858 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.