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]+ 136.07570 125.9
[M+Na]+ 158.05764 133.9
[M-H]- 134.06114 127.5
[M+NH4]+ 153.10224 148.5
[M+K]+ 174.03158 130.9
[M+H-H2O]+ 118.06568 120.3
[M+HCOO]- 180.06662 146.2
[M+CH3COO]- 194.08227 139.4
[M+Na-2H]- 156.04309 132.1
[M]+ 135.06787 121.8
[M]- 135.06897 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