CID 59861

Brn 4684762

Structural Information

Molecular Formula
C11H16BrNO2
SMILES
CC1=C(C(=O)OC1(C)CN2CCCC2)Br
InChI
InChI=1S/C11H16BrNO2/c1-8-9(12)10(14)15-11(8,2)7-13-5-3-4-6-13/h3-7H2,1-2H3
InChIKey
BKHRJLZCGLOQLR-UHFFFAOYSA-N
Compound name
3-bromo-4,5-dimethyl-5-(pyrrolidin-1-ylmethyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.03644 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.04372 155.4
[M+Na]+ 296.02566 167.3
[M-H]- 272.02916 164.3
[M+NH4]+ 291.07026 178.5
[M+K]+ 311.99960 158.2
[M+H-H2O]+ 256.03370 156.6
[M+HCOO]- 318.03464 174.3
[M+CH3COO]- 332.05029 192.9
[M+Na-2H]- 294.01111 158.4
[M]+ 273.03589 174.2
[M]- 273.03699 174.2
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.