CID 86311379

2694063-01-7

Structural Information

Molecular Formula
C8H16N2
SMILES
CCN1C[C@H]2CNC[C@H]2C1
InChI
InChI=1S/C8H16N2/c1-2-10-5-7-3-9-4-8(7)6-10/h7-9H,2-6H2,1H3/t7-,8+
InChIKey
LEGNYJMRADOJNA-OCAPTIKFSA-N
Compound name
(3aS,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

140.13135 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.138626 133.8
[M+Na]+ 163.120568 140.3
[M-H]- 139.124074 133.6
[M+NH4]+ 158.165173 156.6
[M+K]+ 179.094508 138.2
[M+H-H2O]+ 123.128610 127.4
[M+HCOO]- 185.129551 151.6
[M+CH3COO]- 199.145201 146.0
[M+Na-2H]- 161.106016 136.0
[M]+ 140.13080142 128.9
[M]- 140.13189858 128.9
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