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 150.9
[M+Na]+ 238.08386 163.3
[M-H]- 214.08736 157.8
[M+NH4]+ 233.12846 169.0
[M+K]+ 254.05780 159.0
[M+H-H2O]+ 198.09190 145.6
[M+HCOO]- 260.09284 171.4
[M+CH3COO]- 274.10849 191.1
[M+Na-2H]- 236.06931 154.9
[M]+ 215.09409 154.9
[M]- 215.09519 154.9
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