CID 12249159

N,n-dibutyl-4-ethynylaniline

Structural Information

Molecular Formula
C16H23N
SMILES
CCCCN(CCCC)C1=CC=C(C=C1)C#C
InChI
InChI=1S/C16H23N/c1-4-7-13-17(14-8-5-2)16-11-9-15(6-3)10-12-16/h3,9-12H,4-5,7-8,13-14H2,1-2H3
InChIKey
GYEJUFWGFHPFAR-UHFFFAOYSA-N
Compound name
N,N-dibutyl-4-ethynylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

229.18304 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.19032 156.2
[M+Na]+ 252.17226 163.8
[M-H]- 228.17576 158.7
[M+NH4]+ 247.21686 172.7
[M+K]+ 268.14620 159.4
[M+H-H2O]+ 212.18030 143.3
[M+HCOO]- 274.18124 174.2
[M+CH3COO]- 288.19689 206.5
[M+Na-2H]- 250.15771 158.7
[M]+ 229.18249 153.2
[M]- 229.18359 153.2
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.