CID 12434260

67503-08-6

Structural Information

Molecular Formula
C11H9NO3
SMILES
C1C(C12C3=CC=CC=C3NC2=O)C(=O)O
InChI
InChI=1S/C11H9NO3/c13-9(14)7-5-11(7)6-3-1-2-4-8(6)12-10(11)15/h1-4,7H,5H2,(H,12,15)(H,13,14)
InChIKey
WQBMGVVIMKVWJT-UHFFFAOYSA-N
Compound name
2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

203.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 144.6
[M+Na]+ 226.047458 156.0
[M-H]- 202.050964 148.7
[M+NH4]+ 221.092063 161.3
[M+K]+ 242.021398 150.9
[M+H-H2O]+ 186.055500 139.9
[M+HCOO]- 248.056441 163.0
[M+CH3COO]- 262.072091 157.1
[M+Na-2H]- 224.032906 149.7
[M]+ 203.05769142 145.7
[M]- 203.05878858 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

patents stripe