CID 132585343

4-ethynyl-n,n-dipropylaniline

Structural Information

Molecular Formula
C14H19N
SMILES
CCCN(CCC)C1=CC=C(C=C1)C#C
InChI
InChI=1S/C14H19N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h3,7-10H,4-5,11-12H2,1-2H3
InChIKey
HNOXKSLOEIKJCJ-UHFFFAOYSA-N
Compound name
4-ethynyl-N,N-dipropylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.15175 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.159026 148.2
[M+Na]+ 224.140968 156.6
[M-H]- 200.144474 151.1
[M+NH4]+ 219.185573 165.7
[M+K]+ 240.114908 152.7
[M+H-H2O]+ 184.149010 135.7
[M+HCOO]- 246.149951 166.8
[M+CH3COO]- 260.165601 201.1
[M+Na-2H]- 222.126416 151.7
[M]+ 201.15120142 144.5
[M]- 201.15229858 144.5
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.