CID 82594679

2248355-93-1

Structural Information

Molecular Formula
C9H11NO
SMILES
C1COCC2=C1C(=CC=C2)N
InChI
InChI=1S/C9H11NO/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3H,4-6,10H2
InChIKey
OIOQNFRDNGFQDN-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-isochromen-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

149.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 128.8
[M+Na]+ 172.07328 141.8
[M+NH4]+ 167.11788 139.1
[M+K]+ 188.04722 135.2
[M-H]- 148.07678 134.1
[M+Na-2H]- 170.05873 135.6
[M]+ 149.08351 132.2
[M]- 149.08461 132.2
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