CID 9815223

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

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

58
Patents

149.08406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 130.3
[M+Na]+ 172.073278 138.8
[M-H]- 148.076784 132.2
[M+NH4]+ 167.117883 152.7
[M+K]+ 188.047218 135.6
[M+H-H2O]+ 132.081320 124.9
[M+HCOO]- 194.082261 150.2
[M+CH3COO]- 208.097911 172.8
[M+Na-2H]- 170.058726 135.3
[M]+ 149.08351142 127.0
[M]- 149.08460858 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