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 160.9
[M+Na]+ 256.20358 165.9
[M-H]- 232.20708 163.5
[M+NH4]+ 251.24818 178.8
[M+K]+ 272.17752 162.9
[M+H-H2O]+ 216.21162 154.4
[M+HCOO]- 278.21256 181.5
[M+CH3COO]- 292.22821 200.7
[M+Na-2H]- 254.18903 160.6
[M]+ 233.21381 161.1
[M]- 233.21491 161.1
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