CID 88999166

1807939-58-7

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

CC(=O)N1C[C@H]2CNC[C@H]2C1

InChI

InChI=1S/C8H14N2O/c1-6(11)10-4-7-2-9-3-8(7)5-10/h7-9H,2-5H2,1H3/t7-,8+

InChIKey

JVTWFZWFTGAAGI-OCAPTIKFSA-N

Compound name

1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 154.11061 Da
Monoisotopic Mass: -0.6
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]+	155.11789	136.7
[M+Na]+	177.09983	143.2
[M-H]-	153.10333	136.7
[M+NH4]+	172.14443	158.8
[M+K]+	193.07377	141.4
[M+H-H2O]+	137.10787	130.4
[M+HCOO]-	199.10881	153.8
[M+CH3COO]-	213.12446	172.5
[M+Na-2H]-	175.08528	137.7
[M]+	154.11006	131.7
[M]-	154.11116	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe