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: 8
Patents: 241.05864 Da
Monoisotopic Mass: -1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	242.065916	146.6
[M+Na]+	264.047858	156.7
[M-H]-	240.051364	149.5
[M+NH4]+	259.092463	159.1
[M+K]+	280.021798	154.2
[M+H-H2O]+	224.055900	143.1
[M+HCOO]-	286.056841	162.4
[M+CH3COO]-	300.072491	192.9
[M+Na-2H]-	262.033306	151.0
[M]+	241.05809142	150.3
[M]-	241.05918858	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe