CID 16684402

(z)-4-diethylthallanyloxypent-3-en-2-one

Structural Information

Molecular Formula
C9H17O2Tl
SMILES
CC[Tl](CC)O/C(=C\C(=O)C)/C
InChI
InChI=1S/C5H8O2.2C2H5.Tl/c1-4(6)3-5(2)7;2*1-2;/h3,6H,1-2H3;2*1H2,2H3;/q;;;+1/p-1/b4-3-;;;
InChIKey
ZZDRVYXCOAZWRQ-FGSKAQBVSA-M
Compound name
(Z)-4-diethylthallanyloxypent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.0973 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.10458 179.8
[M+Na]+ 385.08652 183.9
[M-H]- 361.09002 178.2
[M+NH4]+ 380.13112 198.2
[M+K]+ 401.06046 182.6
[M+H-H2O]+ 345.09456 173.0
[M+HCOO]- 407.09550 198.1
[M+CH3COO]- 421.11115 191.0
[M+Na-2H]- 383.07197 177.0
[M]+ 362.09675 182.3
[M]- 362.09785 182.3
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.