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]+ 271.120776 159.7
[M+Na]+ 293.102718 166.2
[M-H]- 269.106224 160.2
[M+NH4]+ 288.147323 174.6
[M+K]+ 309.076658 156.3
[M+H-H2O]+ 253.110760 157.4
[M+HCOO]- 315.111701 170.5
[M+CH3COO]- 329.127351 183.7
[M+Na-2H]- 291.088166 164.8
[M]+ 270.11295142 155.3
[M]- 270.11404858 155.3
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

No patent data available for this compound.