CID 28491010

3-{[(4-methoxyphenyl)methoxy]methyl}aniline

Structural Information

Molecular Formula
C15H17NO2
SMILES
COC1=CC=C(C=C1)COCC2=CC(=CC=C2)N
InChI
InChI=1S/C15H17NO2/c1-17-15-7-5-12(6-8-15)10-18-11-13-3-2-4-14(16)9-13/h2-9H,10-11,16H2,1H3
InChIKey
LLBHXAMYNYNDML-UHFFFAOYSA-N
Compound name
3-[(4-methoxyphenyl)methoxymethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.133206 155.2
[M+Na]+ 266.115148 162.3
[M-H]- 242.118654 161.5
[M+NH4]+ 261.159753 172.1
[M+K]+ 282.089088 158.9
[M+H-H2O]+ 226.123190 147.4
[M+HCOO]- 288.124131 180.1
[M+CH3COO]- 302.139781 195.6
[M+Na-2H]- 264.100596 160.6
[M]+ 243.12538142 156.5
[M]- 243.12647858 156.5
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.