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-[(3aS,6aR)-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

20
Patents

154.11061 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 136.7
[M+Na]+ 177.099828 143.2
[M-H]- 153.103334 136.7
[M+NH4]+ 172.144433 158.8
[M+K]+ 193.073768 141.4
[M+H-H2O]+ 137.107870 130.4
[M+HCOO]- 199.108811 153.8
[M+CH3COO]- 213.124461 172.5
[M+Na-2H]- 175.085276 137.7
[M]+ 154.11006142 131.7
[M]- 154.11115858 131.7
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