CID 104166035

4-(2-methoxypropoxy)-2-methylaniline

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC1=C(C=CC(=C1)OCC(C)OC)N
InChI
InChI=1S/C11H17NO2/c1-8-6-10(4-5-11(8)12)14-7-9(2)13-3/h4-6,9H,7,12H2,1-3H3
InChIKey
MCCKDEAZGVOKGY-UHFFFAOYSA-N
Compound name
4-(2-methoxypropoxy)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 143.9
[M+Na]+ 218.11515 151.2
[M-H]- 194.11865 147.4
[M+NH4]+ 213.15975 163.3
[M+K]+ 234.08909 150.0
[M+H-H2O]+ 178.12319 137.8
[M+HCOO]- 240.12413 167.7
[M+CH3COO]- 254.13978 188.7
[M+Na-2H]- 216.10060 147.6
[M]+ 195.12538 145.8
[M]- 195.12648 145.8
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.