CID 87102

17413-10-4

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1COC2=C(O1)C=CC(=C2)CN
InChI
InChI=1S/C9H11NO2/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4,6,10H2
InChIKey
FUDYRLUSXBRPIA-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxin-6-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

456
Patents

165.07898 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 132.4
[M+Na]+ 188.06820 139.5
[M-H]- 164.07170 137.6
[M+NH4]+ 183.11280 150.9
[M+K]+ 204.04214 139.7
[M+H-H2O]+ 148.07624 126.4
[M+HCOO]- 210.07718 153.0
[M+CH3COO]- 224.09283 178.9
[M+Na-2H]- 186.05365 142.2
[M]+ 165.07843 131.1
[M]- 165.07953 131.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe