CID 10192615

312753-70-1

Structural Information

Molecular Formula
C13H19N
SMILES
CCC1=C(C=C2CC(CC2=C1)N)CC
InChI
InChI=1S/C13H19N/c1-3-9-5-11-7-13(14)8-12(11)6-10(9)4-2/h5-6,13H,3-4,7-8,14H2,1-2H3
InChIKey
KGVIJLMNQNSQHB-UHFFFAOYSA-N
Compound name
5,6-diethyl-2,3-dihydro-1H-inden-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

321
Patents

189.15175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 143.9
[M+Na]+ 212.140968 151.9
[M-H]- 188.144474 148.1
[M+NH4]+ 207.185573 166.7
[M+K]+ 228.114908 148.1
[M+H-H2O]+ 172.149010 138.5
[M+HCOO]- 234.149951 166.7
[M+CH3COO]- 248.165601 188.7
[M+Na-2H]- 210.126416 146.9
[M]+ 189.15120142 142.7
[M]- 189.15229858 142.7
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