CID 87894325

Tixogel vp-v

Structural Information

Molecular Formula
C33H70N
SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCC
InChI
InChI=1S/C33H70N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34(3,4)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-33H2,1-4H3/q+1
InChIKey
CESNUGFAIFJSMO-UHFFFAOYSA-N
Compound name
hexadecyl-dimethyl-pentadecylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

480.5508 Da
Monoisotopic Mass

15.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.55808 259.8
[M+Na]+ 503.54002 265.9
[M-H]- 479.54352 242.8
[M+NH4]+ 498.58462 256.7
[M+K]+ 519.51396 264.6
[M+H-H2O]+ 463.54806 252.1
[M+HCOO]- 525.54900 272.9
[M+CH3COO]- 539.56465 249.5
[M+Na-2H]- 501.52547 243.3
[M]+ 480.55025 260.1
[M]- 480.55135 260.1
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