CID 126796965

2094924-99-7

Structural Information

Molecular Formula

C₉H₁₈N₂

SMILES

CC12CNCC1(CN(C2)C)C

InChI

InChI=1S/C9H18N2/c1-8-4-10-5-9(8,2)7-11(3)6-8/h10H,4-7H2,1-3H3

InChIKey

HUJAYOROWVAELT-UHFFFAOYSA-N

Compound name

3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 154.147 Da
Monoisotopic Mass: 0.7
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]+	155.15428	136.2
[M+Na]+	177.13622	144.9
[M+NH4]+	172.18082	147.7
[M+K]+	193.11016	139.1
[M-H]-	153.13972	136.2
[M+Na-2H]-	175.12167	141.3
[M]+	154.14645	137.5
[M]-	154.14755	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe