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]+ 194.08118 138.8
[M+Na]+ 216.06312 145.8
[M-H]- 192.06662 142.2
[M+NH4]+ 211.10772 156.8
[M+K]+ 232.03706 144.4
[M+H-H2O]+ 176.07116 133.0
[M+HCOO]- 238.07210 157.9
[M+CH3COO]- 252.08775 182.8
[M+Na-2H]- 214.04857 145.0
[M]+ 193.07335 135.9
[M]- 193.07445 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.