CID 231905

1-(4-methoxybenzyl)piperazine

Structural Information

Molecular Formula
C12H18N2O
SMILES
COC1=CC=C(C=C1)CN2CCNCC2
InChI
InChI=1S/C12H18N2O/c1-15-12-4-2-11(3-5-12)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
InChIKey
MGLUVVBFISROAH-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

649
Patents

206.1419 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 148.3
[M+Na]+ 229.13112 153.2
[M-H]- 205.13462 149.8
[M+NH4]+ 224.17572 163.4
[M+K]+ 245.10506 149.6
[M+H-H2O]+ 189.13916 139.6
[M+HCOO]- 251.14010 165.1
[M+CH3COO]- 265.15575 182.9
[M+Na-2H]- 227.11657 153.3
[M]+ 206.14135 143.3
[M]- 206.14245 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe