CID 48717

66968-17-0

Structural Information

Molecular Formula
C9H17NO
SMILES
CC1CC(CCC(=O)N1)(C)C
InChI
InChI=1S/C9H17NO/c1-7-6-9(2,3)5-4-8(11)10-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKey
CSADMOJHKAPLRK-UHFFFAOYSA-N
Compound name
5,5,7-trimethylazepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

155.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 130.3
[M+Na]+ 178.12023 139.2
[M+NH4]+ 173.16483 138.9
[M+K]+ 194.09417 133.9
[M-H]- 154.12373 130.9
[M+Na-2H]- 176.10568 136.0
[M]+ 155.13046 131.7
[M]- 155.13156 131.7
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