CID 280229

13754-86-4

Structural Information

Molecular Formula
C8H9NO
SMILES
C1CC2=C(C=CN2)C(=O)C1
InChI
InChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H2
InChIKey
KASJZXHXXNEULX-UHFFFAOYSA-N
Compound name
1,5,6,7-tetrahydroindol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

496
Patents

135.06842 Da
Monoisotopic Mass

0.8
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

literature stripe

Patent stripe

patents stripe