CID 3048861

Brn 5743431

Structural Information

Molecular Formula
C13H13NO2
SMILES
CC1=CC2=C(C=C1)N(C3(C2=O)CC3)C(=O)C
InChI
InChI=1S/C13H13NO2/c1-8-3-4-11-10(7-8)12(16)13(5-6-13)14(11)9(2)15/h3-4,7H,5-6H2,1-2H3
InChIKey
RQIQHVDVQVEIIE-UHFFFAOYSA-N
Compound name
1'-acetyl-5'-methylspiro[cyclopropane-1,2'-indole]-3'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

215.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 150.6
[M+Na]+ 238.08386 164.5
[M+NH4]+ 233.12846 161.1
[M+K]+ 254.05780 159.5
[M-H]- 214.08736 159.6
[M+Na-2H]- 236.06931 158.9
[M]+ 215.09409 156.4
[M]- 215.09519 156.4
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