CID 6437517

Aniline, n-(2-ethyl-2-hexenyl)-

Structural Information

Molecular Formula
C14H21N
SMILES
CCC/C=C(\CC)/CNC1=CC=CC=C1
InChI
InChI=1S/C14H21N/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14/h6-11,15H,3-5,12H2,1-2H3/b13-9+
InChIKey
BYYMMAFVCCUWRF-UKTHLTGXSA-N
Compound name
N-[(E)-2-ethylhex-2-enyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.1674 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.17468 150.5
[M+Na]+ 226.15662 155.0
[M-H]- 202.16012 153.2
[M+NH4]+ 221.20122 169.3
[M+K]+ 242.13056 151.7
[M+H-H2O]+ 186.16466 143.8
[M+HCOO]- 248.16560 173.6
[M+CH3COO]- 262.18125 190.6
[M+Na-2H]- 224.14207 155.1
[M]+ 203.16685 150.1
[M]- 203.16795 150.1
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

No patent data available for this compound.