CID 116685

70729-69-0

Structural Information

Molecular Formula

C₈H₁₇ClNO

SMILES

C[N+](C)(CC=C)CC(CCl)O

InChI

InChI=1S/C8H17ClNO/c1-4-5-10(2,3)7-8(11)6-9/h4,8,11H,1,5-7H2,2-3H3/q+1

InChIKey

FGJYHLJCGCUKHQ-UHFFFAOYSA-N

Compound name

(3-chloro-2-hydroxypropyl)-dimethyl-prop-2-enylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 141
Patents: 178.09987 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	179.10715	136.9
[M+Na]+	201.08909	143.6
[M-H]-	177.09259	137.2
[M+NH4]+	196.13369	157.7
[M+K]+	217.06303	135.7
[M+H-H2O]+	161.09713	136.4
[M+HCOO]-	223.09807	154.0
[M+CH3COO]-	237.11372	177.2
[M+Na-2H]-	199.07454	144.5
[M]+	178.09932	137.7
[M]-	178.10042	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe