CID 165991121

{5-propyl-3-azabicyclo[3.1.1]heptan-1-yl}methanol

Structural Information

Molecular Formula
C10H19NO
SMILES
CCCC12CC(C1)(CNC2)CO
InChI
InChI=1S/C10H19NO/c1-2-3-9-4-10(5-9,8-12)7-11-6-9/h11-12H,2-8H2,1H3
InChIKey
QBYUIBYCDYGOMF-UHFFFAOYSA-N
Compound name
(5-propyl-3-azabicyclo[3.1.1]heptan-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.14667 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.153946 153.8
[M+Na]+ 192.135888 158.3
[M-H]- 168.139394 148.9
[M+NH4]+ 187.180493 173.1
[M+K]+ 208.109828 157.8
[M+H-H2O]+ 152.143930 145.3
[M+HCOO]- 214.144871 163.0
[M+CH3COO]- 228.160521 181.9
[M+Na-2H]- 190.121336 164.0
[M]+ 169.14612142 162.5
[M]- 169.14721858 162.5
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.