CID 211024

22066-17-7

Structural Information

Molecular Formula
C18H38N2
SMILES
CC[N+](C)(CC)CCC1=CC([N+](C(C1)(C)C)(C)C)(C)C
InChI
InChI=1S/C18H38N2/c1-10-20(9,11-2)13-12-16-14-17(3,4)19(7,8)18(5,6)15-16/h14H,10-13,15H2,1-9H3/q+2
InChIKey
ZLCMYIXBDKMJQP-UHFFFAOYSA-N
Compound name
diethyl-[2-(1,1,2,2,6,6-hexamethyl-3H-pyridin-1-ium-4-yl)ethyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.3035 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.31078 158.0
[M+Na]+ 305.29272 164.9
[M-H]- 281.29622 162.1
[M+NH4]+ 300.33732 179.7
[M+K]+ 321.26666 152.9
[M+H-H2O]+ 265.30076 159.5
[M+HCOO]- 327.30170 175.5
[M+CH3COO]- 341.31735 199.8
[M+Na-2H]- 303.27817 168.6
[M]+ 282.30295 158.5
[M]- 282.30405 158.5
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.