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

19
Patents

203.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 144.6
[M+Na]+ 226.04746 156.0
[M-H]- 202.05096 148.7
[M+NH4]+ 221.09206 161.3
[M+K]+ 242.02140 150.9
[M+H-H2O]+ 186.05550 139.9
[M+HCOO]- 248.05644 163.0
[M+CH3COO]- 262.07209 157.1
[M+Na-2H]- 224.03291 149.7
[M]+ 203.05769 145.7
[M]- 203.05879 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