CID 21149840

94277-41-5

Structural Information

Molecular Formula
C19H42N
SMILES
CCCCC(CC)C[N+](C)(CC)CC(CC)CCCC
InChI
InChI=1S/C19H42N/c1-7-12-14-18(9-3)16-20(6,11-5)17-19(10-4)15-13-8-2/h18-19H,7-17H2,1-6H3/q+1
InChIKey
KOENTENAJYDWCA-UHFFFAOYSA-N
Compound name
ethyl-bis(2-ethylhexyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.33173 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.339006 180.0
[M+Na]+ 307.320948 181.6
[M-H]- 283.324454 180.1
[M+NH4]+ 302.365553 196.7
[M+K]+ 323.294888 174.5
[M+H-H2O]+ 267.328990 176.6
[M+HCOO]- 329.329931 198.1
[M+CH3COO]- 343.345581 209.5
[M+Na-2H]- 305.306396 181.5
[M]+ 284.33118142 183.9
[M]- 284.33227858 183.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.