CID 116944254

{1-[amino(pyridin-4-yl)methyl]cyclobutyl}methanol

Structural Information

Molecular Formula
C11H16N2O
SMILES
C1CC(C1)(CO)C(C2=CC=NC=C2)N
InChI
InChI=1S/C11H16N2O/c12-10(9-2-6-13-7-3-9)11(8-14)4-1-5-11/h2-3,6-7,10,14H,1,4-5,8,12H2
InChIKey
WHUXJAGHBHOAPU-UHFFFAOYSA-N
Compound name
[1-[amino(pyridin-4-yl)methyl]cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.12627 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13355 146.0
[M+Na]+ 215.11549 150.2
[M-H]- 191.11899 149.1
[M+NH4]+ 210.16009 158.0
[M+K]+ 231.08943 150.7
[M+H-H2O]+ 175.12353 134.0
[M+HCOO]- 237.12447 164.9
[M+CH3COO]- 251.14012 185.5
[M+Na-2H]- 213.10094 151.1
[M]+ 192.12572 150.4
[M]- 192.12682 150.4
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

No patent data available for this compound.