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

16
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

literature stripe

Patent stripe

patents stripe