CID 23698

Brn 1527259

Structural Information

Molecular Formula
C11H15NO
SMILES
CC1=C(N(C2=C1C(=O)CCC2)C)C
InChI
InChI=1S/C11H15NO/c1-7-8(2)12(3)9-5-4-6-10(13)11(7)9/h4-6H2,1-3H3
InChIKey
GXBFSPVRTYSDLI-UHFFFAOYSA-N
Compound name
1,2,3-trimethyl-6,7-dihydro-5H-indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

177.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 137.9
[M+Na]+ 200.10459 147.8
[M-H]- 176.10809 141.6
[M+NH4]+ 195.14919 160.6
[M+K]+ 216.07853 145.0
[M+H-H2O]+ 160.11263 132.5
[M+HCOO]- 222.11357 158.7
[M+CH3COO]- 236.12922 183.8
[M+Na-2H]- 198.09004 141.0
[M]+ 177.11482 138.0
[M]- 177.11592 138.0
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