CID 135417404

Enaminomycin c

Structural Information

Molecular Formula
C7H7NO5
SMILES
[C@H]12[C@H](C(=N)C(=C([C@H]1O2)O)C(=O)O)O
InChI
InChI=1S/C7H7NO5/c8-2-1(7(11)12)3(9)5-6(13-5)4(2)10/h4-6,8-10H,(H,11,12)/t4-,5+,6-/m0/s1
InChIKey
IFMVUTNKEOCTHY-JKUQZMGJSA-N
Compound name
(1S,5S,6S)-2,5-dihydroxy-4-imino-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

185.03242 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.039696 132.1
[M+Na]+ 208.021638 143.0
[M-H]- 184.025144 135.4
[M+NH4]+ 203.066243 145.2
[M+K]+ 223.995578 139.8
[M+H-H2O]+ 168.029680 127.5
[M+HCOO]- 230.030621 150.1
[M+CH3COO]- 244.046271 182.1
[M+Na-2H]- 206.007086 137.8
[M]+ 185.03187142 134.1
[M]- 185.03296858 134.1
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

patents stripe