CID 12092548

2,6-di(pentan-3-yl)aniline

Structural Information

Molecular Formula
C16H27N
SMILES
CCC(CC)C1=C(C(=CC=C1)C(CC)CC)N
InChI
InChI=1S/C16H27N/c1-5-12(6-2)14-10-9-11-15(16(14)17)13(7-3)8-4/h9-13H,5-8,17H2,1-4H3
InChIKey
WRXMUGOMZOGXCX-UHFFFAOYSA-N
Compound name
2,6-di(pentan-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

233.21436 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.22164 160.3
[M+Na]+ 256.20358 171.4
[M+NH4]+ 251.24818 168.5
[M+K]+ 272.17752 164.2
[M-H]- 232.20708 163.3
[M+Na-2H]- 254.18903 165.3
[M]+ 233.21381 162.7
[M]- 233.21491 162.7
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

patents stripe