CID 83904881

1628200-29-2

Structural Information

Molecular Formula
C8H13NO
SMILES
C[C@@H]1CC(C[C@@H](O1)C)C#N
InChI
InChI=1S/C8H13NO/c1-6-3-8(5-9)4-7(2)10-6/h6-8H,3-4H2,1-2H3/t6-,7+,8?
InChIKey
AQIPGWQPFWJPAO-DHBOJHSNSA-N
Compound name
(2R,6S)-2,6-dimethyloxane-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

139.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 130.6
[M+Na]+ 162.08894 141.8
[M+NH4]+ 157.13354 136.1
[M+K]+ 178.06288 133.1
[M-H]- 138.09244 126.6
[M+Na-2H]- 160.07439 133.0
[M]+ 139.09917 130.2
[M]- 139.10027 130.2
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