CID 48717

Dtxsid40985741

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]+ 156.138286 129.2
[M+Na]+ 178.120228 134.2
[M-H]- 154.123734 131.1
[M+NH4]+ 173.164833 149.0
[M+K]+ 194.094168 136.3
[M+H-H2O]+ 138.128270 124.2
[M+HCOO]- 200.129211 146.4
[M+CH3COO]- 214.144861 177.5
[M+Na-2H]- 176.105676 133.6
[M]+ 155.13046142 122.2
[M]- 155.13155858 122.2
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

patents stripe