CID 10397185

185757-16-8

Structural Information

Molecular Formula
C8H12N2O2
SMILES
C1CC2C(=O)NCCC(=O)N2C1
InChI
InChI=1S/C8H12N2O2/c11-7-3-4-9-8(12)6-2-1-5-10(6)7/h6H,1-5H2,(H,9,12)
InChIKey
IVSUXHRSHLSJKS-UHFFFAOYSA-N
Compound name
3,4,7,8,9,9a-hexahydro-2H-pyrrolo[1,2-a][1,4]diazepine-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.08987 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 134.4
[M+Na]+ 191.07909 141.7
[M+NH4]+ 186.12369 141.0
[M+K]+ 207.05303 140.3
[M-H]- 167.08259 133.4
[M+Na-2H]- 189.06454 136.4
[M]+ 168.08932 134.7
[M]- 168.09042 134.7
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

No patent data available for this compound.