CID 520789

4-oxo-tempo

Structural Information

Molecular Formula
C9H16NO2
SMILES
CC1(CC(=O)CC(N1[O])(C)C)C
InChI
InChI=1S/C9H16NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h5-6H2,1-4H3
InChIKey
WSGDRFHJFJRSFY-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

137
References

50
Patents

170.1181 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.12538 132.4
[M+Na]+ 193.10732 141.7
[M-H]- 169.11082 135.4
[M+NH4]+ 188.15192 156.3
[M+K]+ 209.08126 141.7
[M+H-H2O]+ 153.11536 128.6
[M+HCOO]- 215.11630 152.1
[M+CH3COO]- 229.13195 181.0
[M+Na-2H]- 191.09277 138.6
[M]+ 170.11755 132.8
[M]- 170.11865 132.8
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.