CID 13057081

2-(1,4-diazepan-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C11H21N3O
SMILES
C1CCN(C1)C(=O)CN2CCCNCC2
InChI
InChI=1S/C11H21N3O/c15-11(14-7-1-2-8-14)10-13-6-3-4-12-5-9-13/h12H,1-10H2
InChIKey
WRAKBKKPDOZKSL-UHFFFAOYSA-N
Compound name
2-(1,4-diazepan-1-yl)-1-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

211.16846 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.17574 149.0
[M+Na]+ 234.15768 149.9
[M-H]- 210.16118 149.6
[M+NH4]+ 229.20228 162.6
[M+K]+ 250.13162 150.9
[M+H-H2O]+ 194.16572 138.4
[M+HCOO]- 256.16666 161.4
[M+CH3COO]- 270.18231 183.6
[M+Na-2H]- 232.14313 148.9
[M]+ 211.16791 137.5
[M]- 211.16901 137.5
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