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

6
Patents

210.17322 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.180496 149.4
[M+Na]+ 233.162438 149.8
[M-H]- 209.165944 151.3
[M+NH4]+ 228.207043 164.4
[M+K]+ 249.136378 150.6
[M+H-H2O]+ 193.170480 140.4
[M+HCOO]- 255.171421 162.8
[M+CH3COO]- 269.187071 183.8
[M+Na-2H]- 231.147886 148.9
[M]+ 210.17267142 137.8
[M]- 210.17376858 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