CID 6118722

Trans-4-(diethylamino)cinnamonitrile

Structural Information

Molecular Formula
C13H16N2
SMILES
CCN(CC)C1=CC=C(C=C1)/C=C/C#N
InChI
InChI=1S/C13H16N2/c1-3-15(4-2)13-9-7-12(8-10-13)6-5-11-14/h5-10H,3-4H2,1-2H3/b6-5+
InChIKey
NPWFCIFHEOTMMN-AATRIKPKSA-N
Compound name
(E)-3-[4-(diethylamino)phenyl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

42
Patents

200.13135 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.138626 148.3
[M+Na]+ 223.120568 156.7
[M-H]- 199.124074 152.3
[M+NH4]+ 218.165173 166.0
[M+K]+ 239.094508 153.4
[M+H-H2O]+ 183.128610 135.1
[M+HCOO]- 245.129551 169.4
[M+CH3COO]- 259.145201 203.7
[M+Na-2H]- 221.106016 152.6
[M]+ 200.13080142 144.4
[M]- 200.13189858 144.4
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.