CID 11116121

23456-78-2

Structural Information

Molecular Formula
C8H9NO
SMILES
C1CC2=C(C(=O)C1)NC=C2
InChI
InChI=1S/C8H9NO/c10-7-3-1-2-6-4-5-9-8(6)7/h4-5,9H,1-3H2
InChIKey
HBNLHFPGBPXSNE-UHFFFAOYSA-N
Compound name
1,4,5,6-tetrahydroindol-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

135.06842 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 125.9
[M+Na]+ 158.057638 133.9
[M-H]- 134.061144 127.5
[M+NH4]+ 153.102243 148.5
[M+K]+ 174.031578 130.9
[M+H-H2O]+ 118.065680 120.3
[M+HCOO]- 180.066621 146.2
[M+CH3COO]- 194.082271 139.4
[M+Na-2H]- 156.043086 132.1
[M]+ 135.06787142 121.8
[M]- 135.06896858 121.8
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