CID 3059224

Benzenemethanol, 2-chloro-4-(4-ethyl-1-piperazinyl)-, n-oxide

Structural Information

Molecular Formula
C13H19ClN2O2
SMILES
CC[N+]1(CCN(CC1)C2=CC(=C(C=C2)CO)Cl)[O-]
InChI
InChI=1S/C13H19ClN2O2/c1-2-16(18)7-5-15(6-8-16)12-4-3-11(10-17)13(14)9-12/h3-4,9,17H,2,5-8,10H2,1H3
InChIKey
FJKNKYMLKLSVSM-UHFFFAOYSA-N
Compound name
[2-chloro-4-(4-ethyl-4-oxidopiperazin-4-ium-1-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1135 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12078 159.9
[M+Na]+ 293.10272 175.1
[M+NH4]+ 288.14732 169.8
[M+K]+ 309.07666 167.4
[M-H]- 269.10622 163.7
[M+Na-2H]- 291.08817 167.7
[M]+ 270.11295 163.6
[M]- 270.11405 163.6
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

No patent data available for this compound.