CID 43133157

[1-(2-amino-4-chlorophenyl)piperidin-4-yl]methanol

Structural Information

Molecular Formula
C12H17ClN2O
SMILES
C1CN(CCC1CO)C2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C12H17ClN2O/c13-10-1-2-12(11(14)7-10)15-5-3-9(8-16)4-6-15/h1-2,7,9,16H,3-6,8,14H2
InChIKey
RKBDEYDDNCNVHV-UHFFFAOYSA-N
Compound name
[1-(2-amino-4-chlorophenyl)piperidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

240.10294 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.110216 154.5
[M+Na]+ 263.092158 161.2
[M-H]- 239.095664 157.4
[M+NH4]+ 258.136763 170.5
[M+K]+ 279.066098 155.7
[M+H-H2O]+ 223.100200 147.7
[M+HCOO]- 285.101141 168.4
[M+CH3COO]- 299.116791 190.6
[M+Na-2H]- 261.077606 156.8
[M]+ 240.10239142 150.2
[M]- 240.10348858 150.2
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

patents stripe