CID 12159861

67330-67-0

Structural Information

Molecular Formula
C16H23N
SMILES
C1CCC(C1)C2=C(C(=CC=C2)C3CCCC3)N
InChI
InChI=1S/C16H23N/c17-16-14(12-6-1-2-7-12)10-5-11-15(16)13-8-3-4-9-13/h5,10-13H,1-4,6-9,17H2
InChIKey
IEIPZQFILTYQLK-UHFFFAOYSA-N
Compound name
2,6-dicyclopentylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

229.18304 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.19032 155.6
[M+Na]+ 252.17226 159.5
[M-H]- 228.17576 164.1
[M+NH4]+ 247.21686 176.2
[M+K]+ 268.14620 155.2
[M+H-H2O]+ 212.18030 148.6
[M+HCOO]- 274.18124 177.0
[M+CH3COO]- 288.19689 167.1
[M+Na-2H]- 250.15771 153.9
[M]+ 229.18249 147.9
[M]- 229.18359 147.9
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.