CID 156382

N-hydroxycantharidinimide

Structural Information

Molecular Formula

C₁₀H₁₃NO₄

SMILES

CC12C3CCC(C1(C(=O)N(C2=O)O)C)O3

InChI

InChI=1S/C10H13NO4/c1-9-5-3-4-6(15-5)10(9,2)8(13)11(14)7(9)12/h5-6,14H,3-4H2,1-2H3

InChIKey

GCAVYMAKLCZGJZ-UHFFFAOYSA-N

Compound name

2-hydroxy-3a,7a-dimethyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 211.08446 Da
Monoisotopic Mass: -0.3
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]+	212.09174	142.3
[M+Na]+	234.07368	153.4
[M-H]-	210.07718	145.2
[M+NH4]+	229.11828	170.0
[M+K]+	250.04762	151.6
[M+H-H2O]+	194.08172	141.0
[M+HCOO]-	256.08266	159.6
[M+CH3COO]-	270.09831	184.0
[M+Na-2H]-	232.05913	146.2
[M]+	211.08391	144.7
[M]-	211.08501	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe