CID 43115260

2613385-51-4

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1C(COC2=C1C=CC=C2N)C(=O)O
InChI
InChI=1S/C10H11NO3/c11-8-3-1-2-6-4-7(10(12)13)5-14-9(6)8/h1-3,7H,4-5,11H2,(H,12,13)
InChIKey
FGBDSDAJFOENPU-UHFFFAOYSA-N
Compound name
8-amino-3,4-dihydro-2H-chromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 138.8
[M+Na]+ 216.063118 145.8
[M-H]- 192.066624 142.2
[M+NH4]+ 211.107723 156.8
[M+K]+ 232.037058 144.4
[M+H-H2O]+ 176.071160 133.0
[M+HCOO]- 238.072101 157.9
[M+CH3COO]- 252.087751 182.8
[M+Na-2H]- 214.048566 145.0
[M]+ 193.07335142 135.9
[M]- 193.07444858 135.9
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.