CID 3061595

Brn 5754403

Structural Information

Molecular Formula
C12H10N2O4
SMILES
CC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C13CC3
InChI
InChI=1S/C12H10N2O4/c1-7(15)13-10-3-2-8(14(17)18)6-9(10)11(16)12(13)4-5-12/h2-3,6H,4-5H2,1H3
InChIKey
PSZUJAIRCRNRNW-UHFFFAOYSA-N
Compound name
1'-acetyl-5'-nitrospiro[cyclopropane-1,2'-indole]-3'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.06406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07134 151.1
[M+Na]+ 269.05328 161.9
[M-H]- 245.05678 157.8
[M+NH4]+ 264.09788 166.7
[M+K]+ 285.02722 154.1
[M+H-H2O]+ 229.06132 150.5
[M+HCOO]- 291.06226 172.7
[M+CH3COO]- 305.07791 189.3
[M+Na-2H]- 267.03873 157.9
[M]+ 246.06351 153.3
[M]- 246.06461 153.3
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.