CID 15954701

Schembl70748

Structural Information

Molecular Formula
C34H74N2
SMILES
CCCC[N+](CCCC)(CCCC)CCCCCCCCCC[N+](CCCC)(CCCC)CCCC
InChI
InChI=1S/C34H74N2/c1-7-13-27-35(28-14-8-2,29-15-9-3)33-25-23-21-19-20-22-24-26-34-36(30-16-10-4,31-17-11-5)32-18-12-6/h7-34H2,1-6H3/q+2
InChIKey
VOLYHTUOIWBXQH-UHFFFAOYSA-N
Compound name
tributyl-[10-(tributylazaniumyl)decyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

510.5852 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.59248 282.9
[M+Na]+ 533.57442 288.8
[M-H]- 509.57792 271.0
[M+NH4]+ 528.61902 281.6
[M+K]+ 549.54836 286.7
[M+H-H2O]+ 493.58246 268.7
[M+HCOO]- 555.58340 299.1
[M+CH3COO]- 569.59905 254.0
[M+Na-2H]- 531.55987 265.1
[M]+ 510.58465 281.6
[M]- 510.58575 281.6
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

patents stripe