CID 3059223

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

Structural Information

Molecular Formula
C12H17ClN2O2
SMILES
C[N+]1(CCN(CC1)C2=CC(=C(C=C2)CO)Cl)[O-]
InChI
InChI=1S/C12H17ClN2O2/c1-15(17)6-4-14(5-7-15)11-3-2-10(9-16)12(13)8-11/h2-3,8,16H,4-7,9H2,1H3
InChIKey
XOJDMLMOQYOXFT-UHFFFAOYSA-N
Compound name
[2-chloro-4-(4-methyl-4-oxidopiperazin-4-ium-1-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.09787 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10515 155.0
[M+Na]+ 279.08709 162.0
[M-H]- 255.09059 155.8
[M+NH4]+ 274.13169 170.6
[M+K]+ 295.06103 152.3
[M+H-H2O]+ 239.09513 153.0
[M+HCOO]- 301.09607 166.3
[M+CH3COO]- 315.11172 180.7
[M+Na-2H]- 277.07254 160.7
[M]+ 256.09732 150.3
[M]- 256.09842 150.3
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.