CID 28418676

1019533-47-1

Structural Information

Molecular Formula
C14H18N2O
SMILES
C1CCC(C1)C(=O)N2CCC3=C2C=C(C=C3)N
InChI
InChI=1S/C14H18N2O/c15-12-6-5-10-7-8-16(13(10)9-12)14(17)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,15H2
InChIKey
JYAZWZSSQVPWDK-UHFFFAOYSA-N
Compound name
(6-amino-2,3-dihydroindol-1-yl)-cyclopentylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.1419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 154.0
[M+Na]+ 253.131118 159.7
[M-H]- 229.134624 159.6
[M+NH4]+ 248.175723 174.5
[M+K]+ 269.105058 156.1
[M+H-H2O]+ 213.139160 147.0
[M+HCOO]- 275.140101 174.0
[M+CH3COO]- 289.155751 165.7
[M+Na-2H]- 251.116566 153.7
[M]+ 230.14135142 148.9
[M]- 230.14244858 148.9
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

No patent data available for this compound.