CID 19958502

1-[4-(methoxymethyl)phenyl]piperazine

Structural Information

Molecular Formula
C12H18N2O
SMILES
COCC1=CC=C(C=C1)N2CCNCC2
InChI
InChI=1S/C12H18N2O/c1-15-10-11-2-4-12(5-3-11)14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
InChIKey
BIQWSZSWXQMIOU-UHFFFAOYSA-N
Compound name
1-[4-(methoxymethyl)phenyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

206.1419 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

patents stripe