CID 150923

3-methyloxindole

Structural Information

Molecular Formula
C9H9NO
SMILES
CC1C2=CC=CC=C2NC1=O
InChI
InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-6H,1H3,(H,10,11)
InChIKey
BBZCPUCZKLTAJQ-UHFFFAOYSA-N
Compound name
3-methyl-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

17
References

461
Patents

147.06842 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 128.3
[M+Na]+ 170.057638 137.9
[M-H]- 146.061144 130.7
[M+NH4]+ 165.102243 151.0
[M+K]+ 186.031578 134.5
[M+H-H2O]+ 130.065680 123.0
[M+HCOO]- 192.066621 149.8
[M+CH3COO]- 206.082271 172.4
[M+Na-2H]- 168.043086 134.4
[M]+ 147.06787142 126.6
[M]- 147.06896858 126.6
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