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

23
Patents

155.13101 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 136.5
[M+Na]+ 178.120228 141.1
[M-H]- 154.123734 131.6
[M+NH4]+ 173.164833 164.5
[M+K]+ 194.094168 138.2
[M+H-H2O]+ 138.128270 132.5
[M+HCOO]- 200.129211 147.6
[M+CH3COO]- 214.144861 146.9
[M+Na-2H]- 176.105676 149.1
[M]+ 155.13046142 134.1
[M]- 155.13155858 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