CID 19433721

2,6-diethyl-n-(methoxymethyl)aniline

Structural Information

Molecular Formula
C12H19NO
SMILES
CCC1=C(C(=CC=C1)CC)NCOC
InChI
InChI=1S/C12H19NO/c1-4-10-7-6-8-11(5-2)12(10)13-9-14-3/h6-8,13H,4-5,9H2,1-3H3
InChIKey
QLHHMZDLAILAIS-UHFFFAOYSA-N
Compound name
2,6-diethyl-N-(methoxymethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

193.14667 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 144.5
[M+Na]+ 216.13589 156.9
[M+NH4]+ 211.18049 153.2
[M+K]+ 232.10983 149.4
[M-H]- 192.13939 147.7
[M+Na-2H]- 214.12134 151.4
[M]+ 193.14612 147.2
[M]- 193.14722 147.2
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