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 132.0
[M+Na]+ 206.00599 143.5
[M-H]- 182.00949 136.6
[M+NH4]+ 201.05059 145.8
[M+K]+ 221.97993 140.5
[M+H-H2O]+ 166.01403 127.2
[M+HCOO]- 228.01497 151.5
[M+CH3COO]- 242.03062 183.4
[M+Na-2H]- 203.99144 138.0
[M]+ 183.01622 135.0
[M]- 183.01732 135.0
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.