CID 4357380

3-methyl-4,5,6,7-tetrahydro-1h-indol-4-one

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=CNC2=C1C(=O)CCC2
InChI
InChI=1S/C9H11NO/c1-6-5-10-7-3-2-4-8(11)9(6)7/h5,10H,2-4H2,1H3
InChIKey
SNHVQHNXQVXZOU-UHFFFAOYSA-N
Compound name
3-methyl-1,5,6,7-tetrahydroindol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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 130.3
[M+Na]+ 172.07328 138.8
[M-H]- 148.07678 132.2
[M+NH4]+ 167.11788 152.7
[M+K]+ 188.04722 135.6
[M+H-H2O]+ 132.08132 124.9
[M+HCOO]- 194.08226 150.2
[M+CH3COO]- 208.09791 172.8
[M+Na-2H]- 170.05873 135.3
[M]+ 149.08351 127.0
[M]- 149.08461 127.0
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