CID 22069232

1-(6-chloro-1,3-dioxaindan-5-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C8H8ClNO2
SMILES
C1OC2=C(O1)C=C(C(=C2)CN)Cl
InChI
InChI=1S/C8H8ClNO2/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-2H,3-4,10H2
InChIKey
NYLLTMJTQBUNLZ-UHFFFAOYSA-N
Compound name
(6-chloro-1,3-benzodioxol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

185.02435 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.031626 136.3
[M+Na]+ 208.013568 146.4
[M-H]- 184.017074 142.0
[M+NH4]+ 203.058173 157.1
[M+K]+ 223.987508 144.7
[M+H-H2O]+ 168.021610 132.2
[M+HCOO]- 230.022551 154.6
[M+CH3COO]- 244.038201 150.8
[M+Na-2H]- 205.999016 143.7
[M]+ 185.02380142 139.1
[M]- 185.02489858 139.1
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