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]+ 247.071336 151.1
[M+Na]+ 269.053278 161.9
[M-H]- 245.056784 157.8
[M+NH4]+ 264.097883 166.7
[M+K]+ 285.027218 154.1
[M+H-H2O]+ 229.061320 150.5
[M+HCOO]- 291.062261 172.7
[M+CH3COO]- 305.077911 189.3
[M+Na-2H]- 267.038726 157.9
[M]+ 246.06351142 153.3
[M]- 246.06460858 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.