CID 22456728

2-[(4-methoxyphenoxy)methyl]pyrrolidine hydrochloride

Structural Information

Molecular Formula
C12H17NO2
SMILES
COC1=CC=C(C=C1)OCC2CCCN2
InChI
InChI=1S/C12H17NO2/c1-14-11-4-6-12(7-5-11)15-9-10-3-2-8-13-10/h4-7,10,13H,2-3,8-9H2,1H3
InChIKey
ZDGPHBGOGATCGZ-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenoxy)methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

207.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 146.6
[M+Na]+ 230.115148 152.3
[M-H]- 206.118654 150.0
[M+NH4]+ 225.159753 165.0
[M+K]+ 246.089088 149.6
[M+H-H2O]+ 190.123190 139.2
[M+HCOO]- 252.124131 167.2
[M+CH3COO]- 266.139781 181.8
[M+Na-2H]- 228.100596 150.0
[M]+ 207.12538142 144.7
[M]- 207.12647858 144.7
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

patents stripe