CID 4408062

2-azacyclodecanone

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CCCCNC(=O)CCC1
InChI
InChI=1S/C9H17NO/c11-9-7-5-3-1-2-4-6-8-10-9/h1-8H2,(H,10,11)
InChIKey
KBLFLMTZLPQGIF-UHFFFAOYSA-N
Compound name
azecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

902
Patents

155.13101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 134.3
[M+Na]+ 178.12023 137.7
[M-H]- 154.12373 131.3
[M+NH4]+ 173.16483 150.2
[M+K]+ 194.09417 136.8
[M+H-H2O]+ 138.12827 131.0
[M+HCOO]- 200.12921 150.3
[M+CH3COO]- 214.14486 167.9
[M+Na-2H]- 176.10568 137.8
[M]+ 155.13046 123.4
[M]- 155.13156 123.4
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