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)pyridin-2-yl]piperidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

221.15282 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.16010 152.5
[M+Na]+ 244.14204 157.4
[M-H]- 220.14554 153.8
[M+NH4]+ 239.18664 166.7
[M+K]+ 260.11598 153.5
[M+H-H2O]+ 204.15008 143.7
[M+HCOO]- 266.15102 169.6
[M+CH3COO]- 280.16667 188.4
[M+Na-2H]- 242.12749 156.1
[M]+ 221.15227 146.2
[M]- 221.15337 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