CID 145874349

2375262-46-5

Structural Information

Molecular Formula
C11H13NO4
SMILES
CC1(CCNC(=O)C2=C1OC(=C2)C(=O)O)C
InChI
InChI=1S/C11H13NO4/c1-11(2)3-4-12-9(13)6-5-7(10(14)15)16-8(6)11/h5H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKey
IFBDEYKIICWKED-UHFFFAOYSA-N
Compound name
8,8-dimethyl-4-oxo-6,7-dihydro-5H-furo[3,2-c]azepine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.08446 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 144.8
[M+Na]+ 246.07368 152.6
[M+NH4]+ 241.11828 151.5
[M+K]+ 262.04762 151.0
[M-H]- 222.07718 144.5
[M+Na-2H]- 244.05913 147.4
[M]+ 223.08391 145.7
[M]- 223.08501 145.7
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.