CID 31147

Dodecylbis(2-hydroxyethyl)methylammonium chloride

Structural Information

Molecular Formula
C17H38NO2
SMILES
CCCCCCCCCCCC[N+](C)(CCO)CCO
InChI
InChI=1S/C17H38NO2/c1-3-4-5-6-7-8-9-10-11-12-13-18(2,14-16-19)15-17-20/h19-20H,3-17H2,1-2H3/q+1
InChIKey
VVWPRBUPUHNJPX-UHFFFAOYSA-N
Compound name
dodecyl-bis(2-hydroxyethyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

396
Patents

288.29025 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.29753 177.5
[M+Na]+ 311.27947 179.3
[M-H]- 287.28297 174.8
[M+NH4]+ 306.32407 192.6
[M+K]+ 327.25341 170.9
[M+H-H2O]+ 271.28751 174.2
[M+HCOO]- 333.28845 195.8
[M+CH3COO]- 347.30410 200.2
[M+Na-2H]- 309.26492 181.8
[M]+ 288.28970 180.9
[M]- 288.29080 180.9
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