CID 2449442

1-[(5-fluoro-2-methoxyphenyl)methyl]piperazine

Structural Information

Molecular Formula
C12H17FN2O
SMILES
COC1=C(C=C(C=C1)F)CN2CCNCC2
InChI
InChI=1S/C12H17FN2O/c1-16-12-3-2-11(13)8-10(12)9-15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3
InChIKey
WSVHAGDWEZZIGZ-UHFFFAOYSA-N
Compound name
1-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

224.13249 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.139766 151.3
[M+Na]+ 247.121708 157.2
[M-H]- 223.125214 151.8
[M+NH4]+ 242.166313 165.9
[M+K]+ 263.095648 153.2
[M+H-H2O]+ 207.129750 141.8
[M+HCOO]- 269.130691 167.0
[M+CH3COO]- 283.146341 186.7
[M+Na-2H]- 245.107156 154.9
[M]+ 224.13194142 145.6
[M]- 224.13303858 145.6
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