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]+ 193.133546 146.0
[M+Na]+ 215.115488 150.2
[M-H]- 191.118994 149.1
[M+NH4]+ 210.160093 158.0
[M+K]+ 231.089428 150.7
[M+H-H2O]+ 175.123530 134.0
[M+HCOO]- 237.124471 164.9
[M+CH3COO]- 251.140121 185.5
[M+Na-2H]- 213.100936 151.1
[M]+ 192.12572142 150.4
[M]- 192.12681858 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.