CID 82594680

3,4-dihydro-1h-2-benzopyran-8-amine hydrochloride

Structural Information

Molecular Formula
C9H11NO
SMILES
C1COCC2=C1C=CC=C2N
InChI
InChI=1S/C9H11NO/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3H,4-6,10H2
InChIKey
HEVXHQFCCQUZKM-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-isochromen-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

149.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 128.1
[M+Na]+ 172.073278 135.2
[M-H]- 148.076784 132.7
[M+NH4]+ 167.117883 148.6
[M+K]+ 188.047218 133.9
[M+H-H2O]+ 132.081320 122.3
[M+HCOO]- 194.082261 149.5
[M+CH3COO]- 208.097911 141.8
[M+Na-2H]- 170.058726 137.2
[M]+ 149.08351142 124.7
[M]- 149.08460858 124.7
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