CID 117280287

1-(4-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/c9-7-5(3-10)1-2-6-8(7)12-4-11-6/h1-2H,3-4,10H2
InChIKey
LVAFPXIWKBEYPQ-UHFFFAOYSA-N
Compound name
(4-chloro-1,3-benzodioxol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 136.3
[M+Na]+ 208.01357 146.4
[M-H]- 184.01707 142.0
[M+NH4]+ 203.05817 157.1
[M+K]+ 223.98751 144.7
[M+H-H2O]+ 168.02161 132.2
[M+HCOO]- 230.02255 154.6
[M+CH3COO]- 244.03820 150.8
[M+Na-2H]- 205.99902 143.7
[M]+ 185.02380 139.1
[M]- 185.02490 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

No patent data available for this compound.