CID 5169898

N,n-diisobutylaniline

Structural Information

Molecular Formula
C14H23N
SMILES
CC(C)CN(CC(C)C)C1=CC=CC=C1
InChI
InChI=1S/C14H23N/c1-12(2)10-15(11-13(3)4)14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3
InChIKey
LMOOEMRNWCISOX-UHFFFAOYSA-N
Compound name
N,N-bis(2-methylpropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

205.18304 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.190316 152.0
[M+Na]+ 228.172258 156.1
[M-H]- 204.175764 156.3
[M+NH4]+ 223.216863 171.3
[M+K]+ 244.146198 155.3
[M+H-H2O]+ 188.180300 145.2
[M+HCOO]- 250.181241 174.4
[M+CH3COO]- 264.196891 196.6
[M+Na-2H]- 226.157706 154.5
[M]+ 205.18249142 153.0
[M]- 205.18358858 153.0
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