CID 76134

4-(diethylamino)benzonitrile

Structural Information

Molecular Formula
C11H14N2
SMILES
CCN(CC)C1=CC=C(C=C1)C#N
InChI
InChI=1S/C11H14N2/c1-3-13(4-2)11-7-5-10(9-12)6-8-11/h5-8H,3-4H2,1-2H3
InChIKey
KMLGFOAKCYHXCQ-UHFFFAOYSA-N
Compound name
4-(diethylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

278
Patents

174.11569 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.122966 139.9
[M+Na]+ 197.104908 148.8
[M-H]- 173.108414 144.3
[M+NH4]+ 192.149513 158.6
[M+K]+ 213.078848 146.6
[M+H-H2O]+ 157.112950 127.1
[M+HCOO]- 219.113891 161.5
[M+CH3COO]- 233.129541 199.7
[M+Na-2H]- 195.090356 145.4
[M]+ 174.11514142 136.2
[M]- 174.11623858 136.2
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