CID 3048856

64053-78-7

Structural Information

Molecular Formula
C10H9NO
SMILES
C1CC12C(=O)C3=CC=CC=C3N2
InChI
InChI=1S/C10H9NO/c12-9-7-3-1-2-4-8(7)11-10(9)5-6-10/h1-4,11H,5-6H2
InChIKey
JFGZKZGGDVMKDC-UHFFFAOYSA-N
Compound name
spiro[1H-indole-2,1'-cyclopropane]-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

159.06842 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 135.6
[M+Na]+ 182.05764 147.2
[M-H]- 158.06114 140.8
[M+NH4]+ 177.10224 154.7
[M+K]+ 198.03158 142.8
[M+H-H2O]+ 142.06568 130.1
[M+HCOO]- 204.06662 156.4
[M+CH3COO]- 218.08227 149.2
[M+Na-2H]- 180.04309 143.1
[M]+ 159.06787 135.9
[M]- 159.06897 135.9
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