CID 132327633

4,4,7-trimethylazepan-2-one

Structural Information

Molecular Formula
C9H17NO
SMILES
CC1CCC(CC(=O)N1)(C)C
InChI
InChI=1S/C9H17NO/c1-7-4-5-9(2,3)6-8(11)10-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKey
DAFHCIAKLSHXLF-UHFFFAOYSA-N
Compound name
4,4,7-trimethylazepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 129.2
[M+Na]+ 178.12023 134.2
[M-H]- 154.12373 131.1
[M+NH4]+ 173.16483 149.0
[M+K]+ 194.09417 136.3
[M+H-H2O]+ 138.12827 124.2
[M+HCOO]- 200.12921 146.4
[M+CH3COO]- 214.14486 177.5
[M+Na-2H]- 176.10568 133.6
[M]+ 155.13046 122.2
[M]- 155.13156 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

No patent data available for this compound.