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]+ 190.15903 143.9
[M+Na]+ 212.14097 151.9
[M-H]- 188.14447 148.1
[M+NH4]+ 207.18557 166.7
[M+K]+ 228.11491 148.1
[M+H-H2O]+ 172.14901 138.5
[M+HCOO]- 234.14995 166.7
[M+CH3COO]- 248.16560 188.7
[M+Na-2H]- 210.12642 146.9
[M]+ 189.15120 142.7
[M]- 189.15230 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.