CID 23152950

105176-66-7

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CC2(CCC1(CC2)CO)N
InChI
InChI=1S/C9H17NO/c10-9-4-1-8(7-11,2-5-9)3-6-9/h11H,1-7,10H2
InChIKey
WMDXCIXGFGTWHC-UHFFFAOYSA-N
Compound name
(4-amino-1-bicyclo[2.2.2]octanyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

155.13101 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 136.5
[M+Na]+ 178.12023 141.1
[M-H]- 154.12373 131.6
[M+NH4]+ 173.16483 164.5
[M+K]+ 194.09417 138.2
[M+H-H2O]+ 138.12827 132.5
[M+HCOO]- 200.12921 147.6
[M+CH3COO]- 214.14486 146.9
[M+Na-2H]- 176.10568 149.1
[M]+ 155.13046 134.1
[M]- 155.13156 134.1
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