CID 59863

Brn 4689398

Structural Information

Molecular Formula
C11H16BrNO3
SMILES
CC1=C(C(=O)OC1(C)CN2CCOCC2)Br
InChI
InChI=1S/C11H16BrNO3/c1-8-9(12)10(14)16-11(8,2)7-13-3-5-15-6-4-13/h3-7H2,1-2H3
InChIKey
MXWUYBSUZOJYBE-UHFFFAOYSA-N
Compound name
3-bromo-4,5-dimethyl-5-(morpholin-4-ylmethyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.03137 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.03865 157.1
[M+Na]+ 312.02059 167.9
[M-H]- 288.02409 166.0
[M+NH4]+ 307.06519 176.5
[M+K]+ 327.99453 160.1
[M+H-H2O]+ 272.02863 157.7
[M+HCOO]- 334.02957 173.1
[M+CH3COO]- 348.04522 195.1
[M+Na-2H]- 310.00604 162.1
[M]+ 289.03082 175.9
[M]- 289.03192 175.9
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.