CID 214670

33607-86-2

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1[C@@H]([C@H](C2=CC=CC=C2O1)O)N
InChI
InChI=1S/C9H11NO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-4,7,9,11H,5,10H2/t7-,9-/m0/s1
InChIKey
HCUMBNVFLOJFSA-CBAPKCEASA-N
Compound name
(3S,4S)-3-amino-3,4-dihydro-2H-chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07898 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 131.9
[M+Na]+ 188.06820 139.4
[M-H]- 164.07170 135.4
[M+NH4]+ 183.11280 151.3
[M+K]+ 204.04214 137.8
[M+H-H2O]+ 148.07624 126.4
[M+HCOO]- 210.07718 151.9
[M+CH3COO]- 224.09283 177.4
[M+Na-2H]- 186.05365 139.8
[M]+ 165.07843 128.5
[M]- 165.07953 128.5
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.