CID 105460138

Methyl 8-aminochromane-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C11H13NO3
SMILES
COC(=O)C1CC2=C(C(=CC=C2)N)OC1
InChI
InChI=1S/C11H13NO3/c1-14-11(13)8-5-7-3-2-4-9(12)10(7)15-6-8/h2-4,8H,5-6,12H2,1H3
InChIKey
XPLRDDHZDHXKOX-UHFFFAOYSA-N
Compound name
methyl 8-amino-3,4-dihydro-2H-chromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08954 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 143.3
[M+Na]+ 230.078758 150.3
[M-H]- 206.082264 148.0
[M+NH4]+ 225.123363 161.6
[M+K]+ 246.052698 149.6
[M+H-H2O]+ 190.086800 137.1
[M+HCOO]- 252.087741 163.6
[M+CH3COO]- 266.103391 187.6
[M+Na-2H]- 228.064206 149.4
[M]+ 207.08899142 142.5
[M]- 207.09008858 142.5
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.