CID 3058660

Vufb10,549

Structural Information

Molecular Formula
C19H28N2
SMILES
C1CCN(CC1)CCNC2CCC3=C2C=C4CCCC4=C3
InChI
InChI=1S/C19H28N2/c1-2-10-21(11-3-1)12-9-20-19-8-7-17-13-15-5-4-6-16(15)14-18(17)19/h13-14,19-20H,1-12H2
InChIKey
JNCYYKQJNXWKKE-UHFFFAOYSA-N
Compound name
N-(2-piperidin-1-ylethyl)-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.22525 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.23253 169.2
[M+Na]+ 307.21447 172.0
[M-H]- 283.21797 174.5
[M+NH4]+ 302.25907 188.4
[M+K]+ 323.18841 166.5
[M+H-H2O]+ 267.22251 160.9
[M+HCOO]- 329.22345 185.5
[M+CH3COO]- 343.23910 178.6
[M+Na-2H]- 305.19992 168.7
[M]+ 284.22470 162.5
[M]- 284.22580 162.5
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.