CID 16228589

(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
C1COC2=C(O1)C=C(C=C2Cl)CN
InChI
InChI=1S/C9H10ClNO2/c10-7-3-6(5-11)4-8-9(7)13-2-1-12-8/h3-4H,1-2,5,11H2
InChIKey
CCLGSDIFLDENKE-UHFFFAOYSA-N
Compound name
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.04001 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04729 138.5
[M+Na]+ 222.02923 152.5
[M+NH4]+ 217.07383 148.2
[M+K]+ 238.00317 146.0
[M-H]- 198.03273 144.6
[M+Na-2H]- 220.01468 144.1
[M]+ 199.03946 142.6
[M]- 199.04056 142.6
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

No patent data available for this compound.