CID 43399036

3-[(3,4-dihydro-2h-1-benzopyran-4-yl)amino]propanamide hydrochloride

Structural Information

Molecular Formula
C12H16N2O2
SMILES
C1COC2=CC=CC=C2C1NCCC(=O)N
InChI
InChI=1S/C12H16N2O2/c13-12(15)5-7-14-10-6-8-16-11-4-2-1-3-9(10)11/h1-4,10,14H,5-8H2,(H2,13,15)
InChIKey
JZJUHKPVKCMAQZ-UHFFFAOYSA-N
Compound name
3-(3,4-dihydro-2H-chromen-4-ylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 149.5
[M+Na]+ 243.11041 159.6
[M+NH4]+ 238.15501 157.6
[M+K]+ 259.08435 153.9
[M-H]- 219.11391 153.8
[M+Na-2H]- 241.09586 154.0
[M]+ 220.12064 151.9
[M]- 220.12174 151.9
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

No patent data available for this compound.