CID 3061597

Brn 5542970

Structural Information

Molecular Formula
C12H11NO3
SMILES
COC(=O)N1C2=CC=CC=C2C(=O)C13CC3
InChI
InChI=1S/C12H11NO3/c1-16-11(15)13-9-5-3-2-4-8(9)10(14)12(13)6-7-12/h2-5H,6-7H2,1H3
InChIKey
NMFQOPOKXPVGDH-UHFFFAOYSA-N
Compound name
methyl 3'-oxospiro[cyclopropane-1,2'-indole]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.0739 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 151.3
[M+Na]+ 240.06312 163.2
[M-H]- 216.06662 158.0
[M+NH4]+ 235.10772 169.0
[M+K]+ 256.03706 159.7
[M+H-H2O]+ 200.07116 145.8
[M+HCOO]- 262.07210 172.3
[M+CH3COO]- 276.08775 188.5
[M+Na-2H]- 238.04857 156.4
[M]+ 217.07335 155.9
[M]- 217.07445 155.9
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

No patent data available for this compound.