CID 30001

2-indolinone, 1,3,3-trimethyl-

Structural Information

Molecular Formula
C11H13NO
SMILES
CC1(C2=CC=CC=C2N(C1=O)C)C
InChI
InChI=1S/C11H13NO/c1-11(2)8-6-4-5-7-9(8)12(3)10(11)13/h4-7H,1-3H3
InChIKey
RFJITKCIMOLCNP-UHFFFAOYSA-N
Compound name
1,3,3-trimethylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

175.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 135.3
[M+Na]+ 198.088938 146.4
[M-H]- 174.092444 139.5
[M+NH4]+ 193.133543 160.0
[M+K]+ 214.062878 143.5
[M+H-H2O]+ 158.096980 130.3
[M+HCOO]- 220.097921 157.7
[M+CH3COO]- 234.113571 181.8
[M+Na-2H]- 196.074386 141.3
[M]+ 175.09917142 136.8
[M]- 175.10026858 136.8
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