CID 49657806

1-(azepan-4-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H18N2O
SMILES
C1CC(CCNC1)N2CCCC2=O
InChI
InChI=1S/C10H18N2O/c13-10-4-2-8-12(10)9-3-1-6-11-7-5-9/h9,11H,1-8H2
InChIKey
JCXQALFSGBDTKX-UHFFFAOYSA-N
Compound name
1-(azepan-4-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.1419 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.14918 143.3
[M+Na]+ 205.13112 150.4
[M+NH4]+ 200.17572 150.2
[M+K]+ 221.10506 148.1
[M-H]- 181.13462 144.3
[M+Na-2H]- 203.11657 147.1
[M]+ 182.14135 144.2
[M]- 182.14245 144.2
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.