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]+ 170.15395 153.8
[M+Na]+ 192.13589 158.3
[M-H]- 168.13939 148.9
[M+NH4]+ 187.18049 173.1
[M+K]+ 208.10983 157.8
[M+H-H2O]+ 152.14393 145.3
[M+HCOO]- 214.14487 163.0
[M+CH3COO]- 228.16052 181.9
[M+Na-2H]- 190.12134 164.0
[M]+ 169.14612 162.5
[M]- 169.14722 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.