CID 55283443

2825012-50-6

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

18
Patents

165.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 133.6
[M+Na]+ 188.068198 141.3
[M-H]- 164.071704 139.1
[M+NH4]+ 183.112803 154.0
[M+K]+ 204.042138 141.8
[M+H-H2O]+ 148.076240 128.5
[M+HCOO]- 210.077181 155.3
[M+CH3COO]- 224.092831 179.4
[M+Na-2H]- 186.053646 140.6
[M]+ 165.07843142 133.8
[M]- 165.07952858 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