CID 9815223

35308-68-0

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=CC2=C(N1)CCCC2=O
InChI
InChI=1S/C9H11NO/c1-6-5-7-8(10-6)3-2-4-9(7)11/h5,10H,2-4H2,1H3
InChIKey
HJIYEKHYUGHTAC-UHFFFAOYSA-N
Compound name
2-methyl-1,5,6,7-tetrahydroindol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

149.08406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.8
[M+Na]+ 172.07328 142.4
[M+NH4]+ 167.11788 139.9
[M+K]+ 188.04722 137.9
[M-H]- 148.07678 132.1
[M+Na-2H]- 170.05873 135.3
[M]+ 149.08351 132.6
[M]- 149.08461 132.6
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