CID 214557

33451-96-6

Structural Information

Molecular Formula
C18H38N2O2
SMILES
CC(C)(C)CC(C)(C)C(=O)OCC[N+]1(CC[N+](CC1)(C)C)C
InChI
InChI=1S/C18H38N2O2/c1-17(2,3)15-18(4,5)16(21)22-14-13-20(8)11-9-19(6,7)10-12-20/h9-15H2,1-8H3/q+2
InChIKey
IBZDCYAFSJGNRZ-UHFFFAOYSA-N
Compound name
2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl 2,2,4,4-tetramethylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.29333 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.300606 172.3
[M+Na]+ 337.282548 176.5
[M-H]- 313.286054 172.8
[M+NH4]+ 332.327153 188.5
[M+K]+ 353.256488 164.7
[M+H-H2O]+ 297.290590 172.9
[M+HCOO]- 359.291531 182.8
[M+CH3COO]- 373.307181 195.6
[M+Na-2H]- 335.267996 181.7
[M]+ 314.29278142 170.3
[M]- 314.29387858 170.3
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.