CID 240835

Spiro[3.3]heptane-2,6-dicarboxamide

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

C1C(CC12CC(C2)C(=O)N)C(=O)N

InChI

InChI=1S/C9H14N2O2/c10-7(12)5-1-9(2-5)3-6(4-9)8(11)13/h5-6H,1-4H2,(H2,10,12)(H2,11,13)

InChIKey

ACKODFNIGGGCBA-UHFFFAOYSA-N

Compound name

spiro[3.3]heptane-2,6-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 9
Patents: 182.10553 Da
Monoisotopic Mass: -0.9
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]+	183.11281	144.1
[M+Na]+	205.09475	145.9
[M-H]-	181.09825	148.1
[M+NH4]+	200.13935	150.9
[M+K]+	221.06869	151.0
[M+H-H2O]+	165.10279	128.9
[M+HCOO]-	227.10373	161.0
[M+CH3COO]-	241.11938	197.8
[M+Na-2H]-	203.08020	144.7
[M]+	182.10498	155.0
[M]-	182.10608	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe