CID 60155

Brn 5742747

Structural Information

Molecular Formula
C11H18ClNO2
SMILES
CCN(CC)CC1(C(=C(C(=O)O1)Cl)C)C
InChI
InChI=1S/C11H18ClNO2/c1-5-13(6-2)7-11(4)8(3)9(12)10(14)15-11/h5-7H2,1-4H3
InChIKey
RELJWJWNUCDUPW-UHFFFAOYSA-N
Compound name
3-chloro-5-(diethylaminomethyl)-4,5-dimethylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.1026 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10988 149.8
[M+Na]+ 254.09182 159.2
[M-H]- 230.09532 155.8
[M+NH4]+ 249.13642 172.2
[M+K]+ 270.06576 157.8
[M+H-H2O]+ 214.09986 146.2
[M+HCOO]- 276.10080 169.6
[M+CH3COO]- 290.11645 196.0
[M+Na-2H]- 252.07727 153.2
[M]+ 231.10205 156.2
[M]- 231.10315 156.2
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.