CID 61484

N-(2-ethylhexyl)aniline

Structural Information

Molecular Formula
C14H23N
SMILES
CCCCC(CC)CNC1=CC=CC=C1
InChI
InChI=1S/C14H23N/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14/h6-8,10-11,13,15H,3-5,9,12H2,1-2H3
InChIKey
GXFHZISVUPJOCI-UHFFFAOYSA-N
Compound name
N-(2-ethylhexyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

205.18304 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.190316 151.7
[M+Na]+ 228.172258 155.8
[M-H]- 204.175764 154.2
[M+NH4]+ 223.216863 170.3
[M+K]+ 244.146198 153.0
[M+H-H2O]+ 188.180300 144.8
[M+HCOO]- 250.181241 174.6
[M+CH3COO]- 264.196891 192.2
[M+Na-2H]- 226.157706 156.2
[M]+ 205.18249142 152.0
[M]- 205.18358858 152.0
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