CID 6437517

68258-67-3

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
2
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]+ 204.174676 150.5
[M+Na]+ 226.156618 155.0
[M-H]- 202.160124 153.2
[M+NH4]+ 221.201223 169.3
[M+K]+ 242.130558 151.7
[M+H-H2O]+ 186.164660 143.8
[M+HCOO]- 248.165601 173.6
[M+CH3COO]- 262.181251 190.6
[M+Na-2H]- 224.142066 155.1
[M]+ 203.16685142 150.1
[M]- 203.16794858 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.