CID 101374

N-dodecyl-n-methylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

351
Patents

275.2613 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.268576 174.4
[M+Na]+ 298.250518 176.8
[M-H]- 274.254024 177.4
[M+NH4]+ 293.295123 190.9
[M+K]+ 314.224458 173.7
[M+H-H2O]+ 258.258560 166.2
[M+HCOO]- 320.259501 197.1
[M+CH3COO]- 334.275151 210.0
[M+Na-2H]- 296.235966 176.6
[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