CID 101105228

Rac-(1r,2s)-2-hydroxycyclooctane-1-carbonitrile

Structural Information

Molecular Formula
C9H15NO
SMILES
C1CCC[C@H]([C@@H](CC1)C#N)O
InChI
InChI=1S/C9H15NO/c10-7-8-5-3-1-2-4-6-9(8)11/h8-9,11H,1-6H2/t8-,9+/m0/s1
InChIKey
XTEXUHAOVBQOJQ-DTWKUNHWSA-N
Compound name
cis-(1S,2R)-2-hydroxycyclooctane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.11537 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 140.7
[M+Na]+ 176.104588 145.8
[M-H]- 152.108094 141.9
[M+NH4]+ 171.149193 149.2
[M+K]+ 192.078528 145.5
[M+H-H2O]+ 136.112630 135.1
[M+HCOO]- 198.113571 148.0
[M+CH3COO]- 212.129221 223.9
[M+Na-2H]- 174.090036 141.2
[M]+ 153.11482142 136.5
[M]- 153.11591858 136.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.