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

5
Patents

185.03242 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03970 132.1
[M+Na]+ 208.02164 143.0
[M-H]- 184.02514 135.4
[M+NH4]+ 203.06624 145.2
[M+K]+ 223.99558 139.8
[M+H-H2O]+ 168.02968 127.5
[M+HCOO]- 230.03062 150.1
[M+CH3COO]- 244.04627 182.1
[M+Na-2H]- 206.00709 137.8
[M]+ 185.03187 134.1
[M]- 185.03297 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