CID 13632

2-azacyclononanone

Structural Information

Molecular Formula
C8H15NO
SMILES
C1CCCC(=O)NCCC1
InChI
InChI=1S/C8H15NO/c10-8-6-4-2-1-3-5-7-9-8/h1-7H2,(H,9,10)
InChIKey
YDLSUFFXJYEVHW-UHFFFAOYSA-N
Compound name
azonan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

8610
Patents

141.11537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 182.0
[M+Na]+ 164.104588 184.8
[M-H]- 140.108094 182.4
[M+NH4]+ 159.149193 182.6
[M+K]+ 180.078528 182.5
[M+H-H2O]+ 124.112630 174.0
[M+HCOO]- 186.113571 183.6
[M+CH3COO]- 200.129221 184.4
[M+Na-2H]- 162.090036 185.9
[M]+ 141.11482142 183.0
[M]- 141.11591858 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe