CID 55283443

1-(1,3-dioxaindan-4-yl)ethan-1-aminehydrochloride

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC(C1=C2C(=CC=C1)OCO2)N
InChI
InChI=1S/C9H11NO2/c1-6(10)7-3-2-4-8-9(7)12-5-11-8/h2-4,6H,5,10H2,1H3
InChIKey
JKABBFAHXOOSNQ-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

165.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 133.6
[M+Na]+ 188.06820 141.3
[M-H]- 164.07170 139.1
[M+NH4]+ 183.11280 154.0
[M+K]+ 204.04214 141.8
[M+H-H2O]+ 148.07624 128.5
[M+HCOO]- 210.07718 155.3
[M+CH3COO]- 224.09283 179.4
[M+Na-2H]- 186.05365 140.6
[M]+ 165.07843 133.8
[M]- 165.07953 133.8
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