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]+ 202.15903 148.2
[M+Na]+ 224.14097 156.6
[M-H]- 200.14447 151.1
[M+NH4]+ 219.18557 165.7
[M+K]+ 240.11491 152.7
[M+H-H2O]+ 184.14901 135.7
[M+HCOO]- 246.14995 166.8
[M+CH3COO]- 260.16560 201.1
[M+Na-2H]- 222.12642 151.7
[M]+ 201.15120 144.5
[M]- 201.15230 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.