CID 125511802

2060000-52-2

Structural Information

Molecular Formula
C11H13NO4
SMILES
CC1(CC2=C(C(=CO2)C(=O)O)C(=O)NC1)C
InChI
InChI=1S/C11H13NO4/c1-11(2)3-7-8(9(13)12-5-11)6(4-16-7)10(14)15/h4H,3,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKey
LYXVYRMRZCHSSF-UHFFFAOYSA-N
Compound name
7,7-dimethyl-4-oxo-6,8-dihydro-5H-furo[3,2-c]azepine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.08446 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 143.4
[M+Na]+ 246.07368 150.5
[M-H]- 222.07718 146.4
[M+NH4]+ 241.11828 161.5
[M+K]+ 262.04762 152.2
[M+H-H2O]+ 206.08172 138.7
[M+HCOO]- 268.08266 159.4
[M+CH3COO]- 282.09831 185.3
[M+Na-2H]- 244.05913 147.1
[M]+ 223.08391 140.2
[M]- 223.08501 140.2
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.