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 133.0
[M+Na]+ 191.07909 138.5
[M-H]- 167.08259 134.3
[M+NH4]+ 186.12369 151.5
[M+K]+ 207.05303 139.2
[M+H-H2O]+ 151.08713 126.1
[M+HCOO]- 213.08807 148.9
[M+CH3COO]- 227.10372 176.8
[M+Na-2H]- 189.06454 136.1
[M]+ 168.08932 124.8
[M]- 168.09042 124.8
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.