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

26
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

literature stripe

Patent stripe

patents stripe