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 159.7
[M+Na]+ 293.10272 166.2
[M-H]- 269.10622 160.2
[M+NH4]+ 288.14732 174.6
[M+K]+ 309.07666 156.3
[M+H-H2O]+ 253.11076 157.4
[M+HCOO]- 315.11170 170.5
[M+CH3COO]- 329.12735 183.7
[M+Na-2H]- 291.08817 164.8
[M]+ 270.11295 155.3
[M]- 270.11405 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.