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

28
Patents

185.02435 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03163 133.8
[M+Na]+ 208.01357 146.8
[M+NH4]+ 203.05817 143.4
[M+K]+ 223.98751 142.7
[M-H]- 184.01707 139.1
[M+Na-2H]- 205.99902 138.5
[M]+ 185.02380 137.4
[M]- 185.02490 137.4
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