CID 16774262

2-cyclopentyl-1-(1,4-diazepan-1-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C12H22N2O
SMILES
C1CCC(C1)CC(=O)N2CCCNCC2
InChI
InChI=1S/C12H22N2O/c15-12(10-11-4-1-2-5-11)14-8-3-6-13-7-9-14/h11,13H,1-10H2
InChIKey
NSKDECCUVVOBLU-UHFFFAOYSA-N
Compound name
2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

210.17322 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.18050 149.4
[M+Na]+ 233.16244 149.8
[M-H]- 209.16594 151.3
[M+NH4]+ 228.20704 164.4
[M+K]+ 249.13638 150.6
[M+H-H2O]+ 193.17048 140.4
[M+HCOO]- 255.17142 162.8
[M+CH3COO]- 269.18707 183.8
[M+Na-2H]- 231.14789 148.9
[M]+ 210.17267 137.8
[M]- 210.17377 137.8
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

patents stripe