CID 273215

6562-92-1

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₂

SMILES

CC1=NC=C(C2=C1OC(OC2)(C)C)CCl

InChI

InChI=1S/C11H14ClNO2/c1-7-10-9(8(4-12)5-13-7)6-14-11(2,3)15-10/h5H,4,6H2,1-3H3

InChIKey

NVXXLSOPXRVGII-UHFFFAOYSA-N

Compound name

5-(chloromethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 40
Patents: 227.0713 Da
Monoisotopic Mass: 1.8
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]+	228.078576	146.7
[M+Na]+	250.060518	157.3
[M-H]-	226.064024	151.4
[M+NH4]+	245.105123	165.4
[M+K]+	266.034458	155.9
[M+H-H2O]+	210.068560	141.1
[M+HCOO]-	272.069501	160.2
[M+CH3COO]-	286.085151	189.1
[M+Na-2H]-	248.045966	155.1
[M]+	227.07075142	151.2
[M]-	227.07184858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe