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]+ 224.13936 157.5
[M+Na]+ 246.12130 162.1
[M-H]- 222.12480 157.2
[M+NH4]+ 241.16590 164.9
[M+K]+ 262.09524 161.9
[M+H-H2O]+ 206.12934 152.8
[M+HCOO]- 268.13028 164.4
[M+CH3COO]- 282.14593 223.1
[M+Na-2H]- 244.10675 156.6
[M]+ 223.13153 156.3
[M]- 223.13263 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.