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
(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]+ 154.12265 140.7
[M+Na]+ 176.10459 145.8
[M-H]- 152.10809 141.9
[M+NH4]+ 171.14919 149.2
[M+K]+ 192.07853 145.5
[M+H-H2O]+ 136.11263 135.1
[M+HCOO]- 198.11357 148.0
[M+CH3COO]- 212.12922 223.9
[M+Na-2H]- 174.09004 141.2
[M]+ 153.11482 136.5
[M]- 153.11592 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.