CID 84650232

2-(aminomethyl)bicyclo[2.2.2]octan-2-ol hydrochloride

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CC2CCC1CC2(CN)O
InChI
InChI=1S/C9H17NO/c10-6-9(11)5-7-1-3-8(9)4-2-7/h7-8,11H,1-6,10H2
InChIKey
VZMVBYGOJBVOPT-UHFFFAOYSA-N
Compound name
2-(aminomethyl)bicyclo[2.2.2]octan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 135.1
[M+Na]+ 178.12023 139.3
[M-H]- 154.12373 130.2
[M+NH4]+ 173.16483 161.4
[M+K]+ 194.09417 136.6
[M+H-H2O]+ 138.12827 131.3
[M+HCOO]- 200.12921 146.2
[M+CH3COO]- 214.14486 145.5
[M+Na-2H]- 176.10568 146.3
[M]+ 155.13046 132.6
[M]- 155.13156 132.6
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.