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

23
Patents

240.10294 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11022 154.5
[M+Na]+ 263.09216 161.2
[M-H]- 239.09566 157.4
[M+NH4]+ 258.13676 170.5
[M+K]+ 279.06610 155.7
[M+H-H2O]+ 223.10020 147.7
[M+HCOO]- 285.10114 168.4
[M+CH3COO]- 299.11679 190.6
[M+Na-2H]- 261.07761 156.8
[M]+ 240.10239 150.2
[M]- 240.10349 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