CID 4469435

3-[4-(diethylamino)phenyl]prop-2-enenitrile

Structural Information

Molecular Formula
C13H16N2
SMILES
CCN(CC)C1=CC=C(C=C1)C=CC#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
InChIKey
NPWFCIFHEOTMMN-UHFFFAOYSA-N
Compound name
3-[4-(diethylamino)phenyl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

39
Patents

200.13135 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 148.3
[M+Na]+ 223.12057 156.7
[M-H]- 199.12407 152.3
[M+NH4]+ 218.16517 166.0
[M+K]+ 239.09451 153.4
[M+H-H2O]+ 183.12861 135.1
[M+HCOO]- 245.12955 169.4
[M+CH3COO]- 259.14520 203.7
[M+Na-2H]- 221.10602 152.6
[M]+ 200.13080 144.4
[M]- 200.13190 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

patents stripe