CID 84428

N,n-diisopentylaniline

Structural Information

Molecular Formula
C16H27N
SMILES
CC(C)CCN(CCC(C)C)C1=CC=CC=C1
InChI
InChI=1S/C16H27N/c1-14(2)10-12-17(13-11-15(3)4)16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3
InChIKey
CIBZNPRJGQNSEV-UHFFFAOYSA-N
Compound name
N,N-bis(3-methylbutyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

233.21436 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.22164 161.5
[M+Na]+ 256.20358 164.7
[M-H]- 232.20708 165.3
[M+NH4]+ 251.24818 179.6
[M+K]+ 272.17752 163.3
[M+H-H2O]+ 216.21162 154.2
[M+HCOO]- 278.21256 183.2
[M+CH3COO]- 292.22821 202.6
[M+Na-2H]- 254.18903 162.9
[M]+ 233.21381 163.2
[M]- 233.21491 163.2
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