CID 225125

N-benzyl-n-methyl-dodecan-1-amine

Structural Information

Molecular Formula
C20H35N
SMILES
CCCCCCCCCCCCN(C)CC1=CC=CC=C1
InChI
InChI=1S/C20H35N/c1-3-4-5-6-7-8-9-10-11-15-18-21(2)19-20-16-13-12-14-17-20/h12-14,16-17H,3-11,15,18-19H2,1-2H3
InChIKey
MBWNCDJKIRGSFV-UHFFFAOYSA-N
Compound name
N-benzyl-N-methyldodecan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

397
Patents

289.27695 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.28423 179.0
[M+Na]+ 312.26617 180.9
[M-H]- 288.26967 181.7
[M+NH4]+ 307.31077 194.9
[M+K]+ 328.24011 177.5
[M+H-H2O]+ 272.27421 170.6
[M+HCOO]- 334.27515 201.3
[M+CH3COO]- 348.29080 212.9
[M+Na-2H]- 310.25162 180.6
[M]+ 289.27640 183.4
[M]- 289.27750 183.4
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