CID 37206

(3-chloro-2-hydroxypropyl)triethylammonium chloride

Structural Information

Molecular Formula
C9H21ClNO
SMILES
CC[N+](CC)(CC)CC(CCl)O
InChI
InChI=1S/C9H21ClNO/c1-4-11(5-2,6-3)8-9(12)7-10/h9,12H,4-8H2,1-3H3/q+1
InChIKey
CFNGSSRUFGIREU-UHFFFAOYSA-N
Compound name
(3-chloro-2-hydroxypropyl)-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

404
Patents

194.13116 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13844 143.0
[M+Na]+ 217.12038 149.0
[M-H]- 193.12388 143.1
[M+NH4]+ 212.16498 163.3
[M+K]+ 233.09432 141.5
[M+H-H2O]+ 177.12842 142.3
[M+HCOO]- 239.12936 159.7
[M+CH3COO]- 253.14501 181.4
[M+Na-2H]- 215.10583 150.1
[M]+ 194.13061 145.0
[M]- 194.13171 145.0
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