CID 22495

6116-75-2

Structural Information

Molecular Formula
C10H13NO
SMILES
CC1=C(NC2=C1C(=O)CCC2)C
InChI
InChI=1S/C10H13NO/c1-6-7(2)11-8-4-3-5-9(12)10(6)8/h11H,3-5H2,1-2H3
InChIKey
UORPHFZBCZEBJV-UHFFFAOYSA-N
Compound name
2,3-dimethyl-1,5,6,7-tetrahydroindol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

163.09972 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 134.6
[M+Na]+ 186.08894 143.6
[M-H]- 162.09244 136.7
[M+NH4]+ 181.13354 156.8
[M+K]+ 202.06288 140.1
[M+H-H2O]+ 146.09698 129.3
[M+HCOO]- 208.09792 154.2
[M+CH3COO]- 222.11357 177.0
[M+Na-2H]- 184.07439 138.4
[M]+ 163.09917 132.1
[M]- 163.10027 132.1
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