CID 41100

54472-70-7

Structural Information

Molecular Formula
C16H35N2O2
SMILES
CCCCCCCCCCC(C[N+](C)(C)NC(=O)C)O
InChI
InChI=1S/C16H34N2O2/c1-5-6-7-8-9-10-11-12-13-16(20)14-18(3,4)17-15(2)19/h16,20H,5-14H2,1-4H3/p+1
InChIKey
HKSNLMDGZLTQHA-UHFFFAOYSA-O
Compound name
acetamido-(2-hydroxydodecyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

287.26987 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.27715 174.6
[M+Na]+ 310.25909 176.3
[M-H]- 286.26259 173.7
[M+NH4]+ 305.30369 189.9
[M+K]+ 326.23303 169.4
[M+H-H2O]+ 270.26713 171.1
[M+HCOO]- 332.26807 194.0
[M+CH3COO]- 346.28372 204.3
[M+Na-2H]- 308.24454 177.8
[M]+ 287.26932 176.5
[M]- 287.27042 176.5
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