CID 3048858

Brn 5737133

Structural Information

Molecular Formula
C11H9NO2
SMILES
C1CC12C(=O)C3=CC=CC=C3N2C=O
InChI
InChI=1S/C11H9NO2/c13-7-12-9-4-2-1-3-8(9)10(14)11(12)5-6-11/h1-4,7H,5-6H2
InChIKey
LYGPYMPCPHMGPE-UHFFFAOYSA-N
Compound name
3'-oxospiro[cyclopropane-1,2'-indole]-1'-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

187.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 143.5
[M+Na]+ 210.05254 156.1
[M-H]- 186.05604 150.2
[M+NH4]+ 205.09714 162.3
[M+K]+ 226.02648 151.9
[M+H-H2O]+ 170.06058 137.8
[M+HCOO]- 232.06152 165.6
[M+CH3COO]- 246.07717 157.5
[M+Na-2H]- 208.03799 150.1
[M]+ 187.06277 147.0
[M]- 187.06387 147.0
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