CID 209567

20011-09-0

Structural Information

Molecular Formula

C₁₂H₁₇ClN₂O

SMILES

CN1CCN(CC1)C2=CC(=C(C=C2)CO)Cl

InChI

InChI=1S/C12H17ClN2O/c1-14-4-6-15(7-5-14)11-3-2-10(9-16)12(13)8-11/h2-3,8,16H,4-7,9H2,1H3

InChIKey

RFLGWGYGUGNXQT-UHFFFAOYSA-N

Compound name

[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 240.10294 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	241.11022	154.3
[M+Na]+	263.09216	161.7
[M-H]-	239.09566	156.2
[M+NH4]+	258.13676	169.5
[M+K]+	279.06610	156.5
[M+H-H2O]+	223.10020	146.5
[M+HCOO]-	285.10114	166.3
[M+CH3COO]-	299.11679	189.0
[M+Na-2H]-	261.07761	157.2
[M]+	240.10239	152.0
[M]-	240.10349	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe