CID 4461489

4679-87-2

Structural Information

Molecular Formula
C11H13NO
SMILES
CC(C)C1C2=CC=CC=C2NC1=O
InChI
InChI=1S/C11H13NO/c1-7(2)10-8-5-3-4-6-9(8)12-11(10)13/h3-7,10H,1-2H3,(H,12,13)
InChIKey
YGNHYIZZFQBGHY-UHFFFAOYSA-N
Compound name
3-propan-2-yl-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

175.09972 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 138.1
[M+Na]+ 198.088938 146.5
[M-H]- 174.092444 140.2
[M+NH4]+ 193.133543 159.5
[M+K]+ 214.062878 143.1
[M+H-H2O]+ 158.096980 132.5
[M+HCOO]- 220.097921 157.9
[M+CH3COO]- 234.113571 179.3
[M+Na-2H]- 196.074386 141.8
[M]+ 175.09917142 136.4
[M]- 175.10026858 136.4
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