CID 3048860

Brn 5747574

Structural Information

Molecular Formula
C13H13NO3
SMILES
CC(=O)N1C2=C(C=C(C=C2)OC)C(=O)C13CC3
InChI
InChI=1S/C13H13NO3/c1-8(15)14-11-4-3-9(17-2)7-10(11)12(16)13(14)5-6-13/h3-4,7H,5-6H2,1-2H3
InChIKey
NJRZMKTYHFMMFD-UHFFFAOYSA-N
Compound name
1'-acetyl-5'-methoxyspiro[cyclopropane-1,2'-indole]-3'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

231.08954 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 154.6
[M+Na]+ 254.07876 166.8
[M-H]- 230.08226 161.4
[M+NH4]+ 249.12336 172.0
[M+K]+ 270.05270 163.0
[M+H-H2O]+ 214.08680 149.2
[M+HCOO]- 276.08774 175.1
[M+CH3COO]- 290.10339 193.1
[M+Na-2H]- 252.06421 158.7
[M]+ 231.08899 160.0
[M]- 231.09009 160.0
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