CID 18070546

{4-[(2-methoxyethoxy)methyl]phenyl}methanamine

Structural Information

Molecular Formula
C11H17NO2
SMILES
COCCOCC1=CC=C(C=C1)CN
InChI
InChI=1S/C11H17NO2/c1-13-6-7-14-9-11-4-2-10(8-12)3-5-11/h2-5H,6-9,12H2,1H3
InChIKey
YRPNQCWVLXTEPV-UHFFFAOYSA-N
Compound name
[4-(2-methoxyethoxymethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 143.6
[M+Na]+ 218.115148 150.2
[M-H]- 194.118654 146.5
[M+NH4]+ 213.159753 162.7
[M+K]+ 234.089088 148.4
[M+H-H2O]+ 178.123190 137.1
[M+HCOO]- 240.124131 168.4
[M+CH3COO]- 254.139781 186.7
[M+Na-2H]- 216.100596 149.3
[M]+ 195.12538142 145.7
[M]- 195.12647858 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.