CID 61154

N,n-dibutylaniline

Structural Information

Molecular Formula
C14H23N
SMILES
CCCCN(CCCC)C1=CC=CC=C1
InChI
InChI=1S/C14H23N/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
InChIKey
FZPXKEPZZOEPGX-UHFFFAOYSA-N
Compound name
N,N-dibutylaniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

7121
Patents

205.18304 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.19032 151.3
[M+Na]+ 228.17226 155.8
[M-H]- 204.17576 155.3
[M+NH4]+ 223.21686 170.7
[M+K]+ 244.14620 154.1
[M+H-H2O]+ 188.18030 144.2
[M+HCOO]- 250.18124 175.7
[M+CH3COO]- 264.19689 194.9
[M+Na-2H]- 226.15771 156.3
[M]+ 205.18249 153.5
[M]- 205.18359 153.5
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