CID 11788387

16081-45-1

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1COC2=C(C=CC=C2O1)N
InChI
InChI=1S/C8H9NO2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3H,4-5,9H2
InChIKey
DMLRSJNZORFCBD-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

491
Patents

151.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 127.6
[M+Na]+ 174.05254 135.2
[M-H]- 150.05604 133.0
[M+NH4]+ 169.09714 146.7
[M+K]+ 190.02648 135.6
[M+H-H2O]+ 134.06058 121.8
[M+HCOO]- 196.06152 148.6
[M+CH3COO]- 210.07717 141.6
[M+Na-2H]- 172.03799 138.0
[M]+ 151.06277 125.9
[M]- 151.06387 125.9
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