CID 20806588

1236262-07-9

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC(C(=O)N1CCC2=CC=CC=C21)N
InChI
InChI=1S/C11H14N2O/c1-8(12)11(14)13-7-6-9-4-2-3-5-10(9)13/h2-5,8H,6-7,12H2,1H3
InChIKey
XZHRLYUEEHDTFI-UHFFFAOYSA-N
Compound name
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11061 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 142.7
[M+Na]+ 213.09983 149.4
[M-H]- 189.10333 145.3
[M+NH4]+ 208.14443 163.3
[M+K]+ 229.07377 147.0
[M+H-H2O]+ 173.10787 136.2
[M+HCOO]- 235.10881 163.4
[M+CH3COO]- 249.12446 185.2
[M+Na-2H]- 211.08528 145.8
[M]+ 190.11006 140.0
[M]- 190.11116 140.0
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

No patent data available for this compound.