CID 13949877

Hydroxypropyl bis-hydroxyethyldimonium chloride

Structural Information

Molecular Formula
C11H28N2O3
SMILES
C[N+](C)(CCO)CC(C[N+](C)(C)CCO)O
InChI
InChI=1S/C11H28N2O3/c1-12(2,5-7-14)9-11(16)10-13(3,4)6-8-15/h11,14-16H,5-10H2,1-4H3/q+2
InChIKey
HFXVAKJGXLSTHX-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-[2-hydroxy-3-[2-hydroxyethyl(dimethyl)azaniumyl]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

150
Patents

236.20999 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.21727 150.4
[M+Na]+ 259.19921 153.9
[M-H]- 235.20271 149.4
[M+NH4]+ 254.24381 166.9
[M+K]+ 275.17315 142.8
[M+H-H2O]+ 219.20725 151.5
[M+HCOO]- 281.20819 168.8
[M+CH3COO]- 295.22384 183.8
[M+Na-2H]- 257.18466 160.9
[M]+ 236.20944 149.1
[M]- 236.21054 149.1
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