CID 3038533

94313-91-4

Structural Information

Molecular Formula
C17H35N2O
SMILES
C[N+](C)(C)CCCNC(=O)CCCCCCCCC=C
InChI
InChI=1S/C17H34N2O/c1-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2,3)4/h5H,1,6-16H2,2-4H3/p+1
InChIKey
SEUOKNLZMRSBLL-UHFFFAOYSA-O
Compound name
trimethyl-[3-(undec-10-enoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

50
Patents

283.27493 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.28221 174.4
[M+Na]+ 306.26415 176.7
[M-H]- 282.26765 174.7
[M+NH4]+ 301.30875 190.6
[M+K]+ 322.23809 168.8
[M+H-H2O]+ 266.27219 170.7
[M+HCOO]- 328.27313 195.8
[M+CH3COO]- 342.28878 206.5
[M+Na-2H]- 304.24960 178.7
[M]+ 283.27438 177.2
[M]- 283.27548 177.2
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