CID 5136721

59820-84-7

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC1=CC2=C(C=C1N)OCCO2
InChI
InChI=1S/C9H11NO2/c1-6-4-8-9(5-7(6)10)12-3-2-11-8/h4-5H,2-3,10H2,1H3
InChIKey
ARAHLXHMPGGAEQ-UHFFFAOYSA-N
Compound name
7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

165.07898 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 132.8
[M+Na]+ 188.06820 140.9
[M-H]- 164.07170 138.4
[M+NH4]+ 183.11280 151.7
[M+K]+ 204.04214 141.1
[M+H-H2O]+ 148.07624 127.0
[M+HCOO]- 210.07718 153.4
[M+CH3COO]- 224.09283 180.1
[M+Na-2H]- 186.05365 141.9
[M]+ 165.07843 131.9
[M]- 165.07953 131.9
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