CID 81602

7173-54-8

Structural Information

Molecular Formula
C37H78N
SMILES
CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC
InChI
InChI=1S/C37H78N/c1-5-8-11-14-17-20-23-26-29-32-35-38(4,36-33-30-27-24-21-18-15-12-9-6-2)37-34-31-28-25-22-19-16-13-10-7-3/h5-37H2,1-4H3/q+1
InChIKey
RQPWVAXZWDTDPH-UHFFFAOYSA-N
Compound name
tridodecyl(methyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

68
References

3221
Patents

536.6134 Da
Monoisotopic Mass

17.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.62068 273.9
[M+Na]+ 559.60262 279.2
[M-H]- 535.60612 255.4
[M+NH4]+ 554.64722 270.6
[M+K]+ 575.57656 279.6
[M+H-H2O]+ 519.61066 265.7
[M+HCOO]- 581.61160 285.5
[M+CH3COO]- 595.62725 260.9
[M+Na-2H]- 557.58807 255.6
[M]+ 536.61285 273.6
[M]- 536.61395 273.6
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