CID 59859

Brn 4689397

Structural Information

Molecular Formula
C11H16ClNO3
SMILES
CC1=C(C(=O)OC1(C)CN2CCOCC2)Cl
InChI
InChI=1S/C11H16ClNO3/c1-8-9(12)10(14)16-11(8,2)7-13-3-5-15-6-4-13/h3-7H2,1-2H3
InChIKey
VSMGEGWGMZVLHI-UHFFFAOYSA-N
Compound name
3-chloro-4,5-dimethyl-5-(morpholin-4-ylmethyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.08188 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08916 152.1
[M+Na]+ 268.07110 160.6
[M-H]- 244.07460 158.5
[M+NH4]+ 263.11570 170.3
[M+K]+ 284.04504 159.5
[M+H-H2O]+ 228.07914 146.9
[M+HCOO]- 290.08008 165.4
[M+CH3COO]- 304.09573 189.3
[M+Na-2H]- 266.05655 155.6
[M]+ 245.08133 153.9
[M]- 245.08243 153.9
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.