CID 215422

(2,3-dihydroxypropyl)triethylammonium chloride

Structural Information

Molecular Formula
C9H22NO2
SMILES
CC[N+](CC)(CC)CC(CO)O
InChI
InChI=1S/C9H22NO2/c1-4-10(5-2,6-3)7-9(12)8-11/h9,11-12H,4-8H2,1-3H3/q+1
InChIKey
RKYCOBOVVNRLCI-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl(triethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

176.16505 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.17233 140.6
[M+Na]+ 199.15427 145.6
[M-H]- 175.15777 139.5
[M+NH4]+ 194.19887 160.1
[M+K]+ 215.12821 139.7
[M+H-H2O]+ 159.16231 139.0
[M+HCOO]- 221.16325 160.5
[M+CH3COO]- 235.17890 176.6
[M+Na-2H]- 197.13972 147.8
[M]+ 176.16450 140.3
[M]- 176.16560 140.3
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