CID 45456

4-nonylphenyl-beta-dimethylaminoethyl ether

Structural Information

Molecular Formula
C19H33NO
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCN(C)C
InChI
InChI=1S/C19H33NO/c1-4-5-6-7-8-9-10-11-18-12-14-19(15-13-18)21-17-16-20(2)3/h12-15H,4-11,16-17H2,1-3H3
InChIKey
GHEDJSJWMBIQBZ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(4-nonylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

291.25623 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.26351 177.4
[M+Na]+ 314.24545 180.7
[M-H]- 290.24895 180.8
[M+NH4]+ 309.29005 193.5
[M+K]+ 330.21939 178.1
[M+H-H2O]+ 274.25349 169.2
[M+HCOO]- 336.25443 200.3
[M+CH3COO]- 350.27008 212.9
[M+Na-2H]- 312.23090 178.9
[M]+ 291.25568 183.3
[M]- 291.25678 183.3
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