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 144.3
[M+Na]+ 216.13589 151.4
[M-H]- 192.13939 148.0
[M+NH4]+ 211.18049 164.2
[M+K]+ 232.10983 149.3
[M+H-H2O]+ 176.14393 138.1
[M+HCOO]- 238.14487 169.2
[M+CH3COO]- 252.16052 189.5
[M+Na-2H]- 214.12134 149.8
[M]+ 193.14612 146.8
[M]- 193.14722 146.8
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