CID 28491061

3-[(4-methoxyphenyl)methoxy]propan-1-amine

Structural Information

Molecular Formula
C11H17NO2
SMILES
COC1=CC=C(C=C1)COCCCN
InChI
InChI=1S/C11H17NO2/c1-13-11-5-3-10(4-6-11)9-14-8-2-7-12/h3-6H,2,7-9,12H2,1H3
InChIKey
AQJLVDMLUDKTAQ-UHFFFAOYSA-N
Compound name
3-[(4-methoxyphenyl)methoxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 143.6
[M+Na]+ 218.11515 150.2
[M-H]- 194.11865 146.5
[M+NH4]+ 213.15975 162.7
[M+K]+ 234.08909 148.4
[M+H-H2O]+ 178.12319 137.1
[M+HCOO]- 240.12413 168.4
[M+CH3COO]- 254.13978 186.7
[M+Na-2H]- 216.10060 149.3
[M]+ 195.12538 145.7
[M]- 195.12648 145.7
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.