CID 3018485

N,n-dihexyl-3-methylaniline

Structural Information

Molecular Formula
C19H33N
SMILES
CCCCCCN(CCCCCC)C1=CC=CC(=C1)C
InChI
InChI=1S/C19H33N/c1-4-6-8-10-15-20(16-11-9-7-5-2)19-14-12-13-18(3)17-19/h12-14,17H,4-11,15-16H2,1-3H3
InChIKey
VPGLWSMDJGQIMD-UHFFFAOYSA-N
Compound name
N,N-dihexyl-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

275.2613 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.268576 174.0
[M+Na]+ 298.250518 177.3
[M-H]- 274.254024 177.4
[M+NH4]+ 293.295123 190.8
[M+K]+ 314.224458 174.3
[M+H-H2O]+ 258.258560 166.1
[M+HCOO]- 320.259501 196.7
[M+CH3COO]- 334.275151 211.1
[M+Na-2H]- 296.235966 175.5
[M]+ 275.26075142 178.4
[M]- 275.26184858 178.4
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