CID 12355669

3-tert-butyl-2,3-dihydro-1h-indol-2-one

Structural Information

Molecular Formula
C12H15NO
SMILES
CC(C)(C)C1C2=CC=CC=C2NC1=O
InChI
InChI=1S/C12H15NO/c1-12(2,3)10-8-6-4-5-7-9(8)13-11(10)14/h4-7,10H,1-3H3,(H,13,14)
InChIKey
ZWUOJQIVHKBXQU-UHFFFAOYSA-N
Compound name
3-tert-butyl-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

189.11537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 143.3
[M+Na]+ 212.10459 152.1
[M-H]- 188.10809 145.5
[M+NH4]+ 207.14919 164.5
[M+K]+ 228.07853 148.4
[M+H-H2O]+ 172.11263 138.2
[M+HCOO]- 234.11357 162.2
[M+CH3COO]- 248.12922 181.2
[M+Na-2H]- 210.09004 148.5
[M]+ 189.11482 142.1
[M]- 189.11592 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe