CID 10080477

(s)-2-hydroxy-2-cyclohexylacetonitrile

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CCC(CC1)[C@@H](C#N)O
InChI
InChI=1S/C8H13NO/c9-6-8(10)7-4-2-1-3-5-7/h7-8,10H,1-5H2/t8-/m1/s1
InChIKey
JLNKJTJSIQKWEU-MRVPVSSYSA-N
Compound name
(2S)-2-cyclohexyl-2-hydroxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

139.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 130.5
[M+Na]+ 162.08894 137.3
[M-H]- 138.09244 132.0
[M+NH4]+ 157.13354 149.1
[M+K]+ 178.06288 134.8
[M+H-H2O]+ 122.09698 119.1
[M+HCOO]- 184.09792 145.9
[M+CH3COO]- 198.11357 184.2
[M+Na-2H]- 160.07439 134.6
[M]+ 139.09917 120.4
[M]- 139.10027 120.4
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

patents stripe