CID 135746697

Brn 1684305

Structural Information

Molecular Formula
C7H5NO5
SMILES
[C@@H]12C(O1)C(=O)C(=N)C(=C2O)C(=O)O
InChI
InChI=1S/C7H5NO5/c8-2-1(7(11)12)3(9)5-6(13-5)4(2)10/h5-6,8-9H,(H,11,12)/t5-,6?/m1/s1
InChIKey
QJFZKSRLKQBTDQ-LWOQYNTDSA-N
Compound name
(1S)-2-hydroxy-4-imino-5-oxo-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.01677 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.02405 135.1
[M+Na]+ 206.00599 146.2
[M+NH4]+ 201.05059 141.8
[M+K]+ 221.97993 145.4
[M-H]- 182.00949 142.5
[M+Na-2H]- 203.99144 138.9
[M]+ 183.01622 139.5
[M]- 183.01732 139.5
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.