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]+ 195.138436 143.0
[M+Na]+ 217.120378 149.0
[M-H]- 193.123884 143.1
[M+NH4]+ 212.164983 163.3
[M+K]+ 233.094318 141.5
[M+H-H2O]+ 177.128420 142.3
[M+HCOO]- 239.129361 159.7
[M+CH3COO]- 253.145011 181.4
[M+Na-2H]- 215.105826 150.1
[M]+ 194.13061142 145.0
[M]- 194.13170858 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