CID 5224590

Akos024428052

Structural Information

Molecular Formula
C20H41N2O
SMILES
CCCCC[N+](C)(C)CCNC(=O)CCCCCCCCC=C
InChI
InChI=1S/C20H40N2O/c1-5-7-9-10-11-12-13-14-16-20(23)21-17-19-22(3,4)18-15-8-6-2/h5H,1,6-19H2,2-4H3/p+1
InChIKey
WBMKFVJDRNVOND-UHFFFAOYSA-O
Compound name
dimethyl-pentyl-[2-(undec-10-enoylamino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.3219 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.32918 188.1
[M+Na]+ 348.31112 189.1
[M-H]- 324.31462 187.8
[M+NH4]+ 343.35572 202.6
[M+K]+ 364.28506 180.5
[M+H-H2O]+ 308.31916 183.8
[M+HCOO]- 370.32010 208.5
[M+CH3COO]- 384.33575 215.5
[M+Na-2H]- 346.29657 190.8
[M]+ 325.32135 192.1
[M]- 325.32245 192.1
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

No patent data available for this compound.