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

literature stripe

Patent stripe

patents stripe