CID 67659013

En300-45184493

Structural Information

Molecular Formula
C8H17NO
SMILES
C1CCC[C@@H]([C@@H](CC1)N)O
InChI
InChI=1S/C8H17NO/c9-7-5-3-1-2-4-6-8(7)10/h7-8,10H,1-6,9H2/t7-,8+/m1/s1
InChIKey
DUJAFYDYPPBLOY-SFYZADRCSA-N
Compound name
(1S,2R)-2-aminocyclooctan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

143.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 141.4
[M+Na]+ 166.12023 145.3
[M-H]- 142.12373 142.3
[M+NH4]+ 161.16483 150.6
[M+K]+ 182.09417 145.7
[M+H-H2O]+ 126.12827 138.2
[M+HCOO]- 188.12921 150.2
[M+CH3COO]- 202.14486 218.2
[M+Na-2H]- 164.10568 141.6
[M]+ 143.13046 138.1
[M]- 143.13156 138.1
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