CID 135417405

Enaminomycin b

Structural Information

Molecular Formula
C10H11NO6
SMILES
CC(=O)C[C@]1([C@H]2[C@H](O2)C(=C(C1=N)C(=O)O)O)O
InChI
InChI=1S/C10H11NO6/c1-3(12)2-10(16)7(11)4(9(14)15)5(13)6-8(10)17-6/h6,8,11,13,16H,2H2,1H3,(H,14,15)/t6-,8-,10+/m1/s1
InChIKey
VKKYJXLQEGBUNY-YNEQXMIYSA-N
Compound name
(1S,5S,6R)-2,5-dihydroxy-4-imino-5-(2-oxopropyl)-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

241.05864 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06592 146.6
[M+Na]+ 264.04786 156.7
[M-H]- 240.05136 149.5
[M+NH4]+ 259.09246 159.1
[M+K]+ 280.02180 154.2
[M+H-H2O]+ 224.05590 143.1
[M+HCOO]- 286.05684 162.4
[M+CH3COO]- 300.07249 192.9
[M+Na-2H]- 262.03331 151.0
[M]+ 241.05809 150.3
[M]- 241.05919 150.3
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