CID 4961957

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

Structural Information

Molecular Formula
C9H11NO
SMILES
C1COC2=CC=CC=C2C1N
InChI
InChI=1S/C9H11NO/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8H,5-6,10H2
InChIKey
LCOFMNJNNXWKOC-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-chromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1019
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 128.1
[M+Na]+ 172.07328 135.2
[M-H]- 148.07678 132.7
[M+NH4]+ 167.11788 148.6
[M+K]+ 188.04722 133.9
[M+H-H2O]+ 132.08132 122.3
[M+HCOO]- 194.08226 149.5
[M+CH3COO]- 208.09791 141.8
[M+Na-2H]- 170.05873 137.2
[M]+ 149.08351 124.7
[M]- 149.08461 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

literature stripe

Patent stripe

patents stripe