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]+ 212.175736 149.0
[M+Na]+ 234.157678 149.9
[M-H]- 210.161184 149.6
[M+NH4]+ 229.202283 162.6
[M+K]+ 250.131618 150.9
[M+H-H2O]+ 194.165720 138.4
[M+HCOO]- 256.166661 161.4
[M+CH3COO]- 270.182311 183.6
[M+Na-2H]- 232.143126 148.9
[M]+ 211.16791142 137.5
[M]- 211.16900858 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