CID 165663863

2839157-81-0

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CCOC(=O)C1=NN2CCCCNCC2=C1
InChI
InChI=1S/C11H17N3O2/c1-2-16-11(15)10-7-9-8-12-5-3-4-6-14(9)13-10/h7,12H,2-6,8H2,1H3
InChIKey
KGXGCXSBOZWEBX-UHFFFAOYSA-N
Compound name
ethyl 4,5,6,7,8,9-hexahydropyrazolo[1,5-a][1,4]diazocine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.13208 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.139356 157.5
[M+Na]+ 246.121298 162.1
[M-H]- 222.124804 157.2
[M+NH4]+ 241.165903 164.9
[M+K]+ 262.095238 161.9
[M+H-H2O]+ 206.129340 152.8
[M+HCOO]- 268.130281 164.4
[M+CH3COO]- 282.145931 223.1
[M+Na-2H]- 244.106746 156.6
[M]+ 223.13153142 156.3
[M]- 223.13262858 156.3
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.