CID 43133087

2803856-05-3

Structural Information

Molecular Formula
C12H19N3O
SMILES
C1CN(CCC1CO)C2=NC=C(C=C2)CN
InChI
InChI=1S/C12H19N3O/c13-7-11-1-2-12(14-8-11)15-5-3-10(9-16)4-6-15/h1-2,8,10,16H,3-7,9,13H2
InChIKey
GUABVDOVRIITCB-UHFFFAOYSA-N
Compound name
[1-[5-(aminomethyl)-2-pyridinyl]piperidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

221.15282 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.160096 152.5
[M+Na]+ 244.142038 157.4
[M-H]- 220.145544 153.8
[M+NH4]+ 239.186643 166.7
[M+K]+ 260.115978 153.5
[M+H-H2O]+ 204.150080 143.7
[M+HCOO]- 266.151021 169.6
[M+CH3COO]- 280.166671 188.4
[M+Na-2H]- 242.127486 156.1
[M]+ 221.15227142 146.2
[M]- 221.15336858 146.2
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