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

92
Patents

205.18304 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.19032 151.7
[M+Na]+ 228.17226 155.8
[M-H]- 204.17576 154.2
[M+NH4]+ 223.21686 170.3
[M+K]+ 244.14620 153.0
[M+H-H2O]+ 188.18030 144.8
[M+HCOO]- 250.18124 174.6
[M+CH3COO]- 264.19689 192.2
[M+Na-2H]- 226.15771 156.2
[M]+ 205.18249 152.0
[M]- 205.18359 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