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]+ 221.128466 148.2
[M+Na]+ 243.110408 153.0
[M-H]- 219.113914 152.1
[M+NH4]+ 238.155013 165.2
[M+K]+ 259.084348 151.4
[M+H-H2O]+ 203.118450 141.2
[M+HCOO]- 265.119391 168.9
[M+CH3COO]- 279.135041 193.1
[M+Na-2H]- 241.095856 154.8
[M]+ 220.12064142 145.2
[M]- 220.12173858 145.2
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

No patent data available for this compound.