CID 135417405

68245-17-0

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 151.2
[M+Na]+ 264.04786 160.7
[M+NH4]+ 259.09246 157.8
[M+K]+ 280.02180 159.1
[M-H]- 240.05136 157.5
[M+Na-2H]- 262.03331 154.7
[M]+ 241.05809 155.1
[M]- 241.05919 155.1
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