CID 62907590

3-oxo-3-(tetrahydro-2h-pyran-4-yl)propanenitrile

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1COCCC1C(=O)CC#N
InChI
InChI=1S/C8H11NO2/c9-4-1-8(10)7-2-5-11-6-3-7/h7H,1-3,5-6H2
InChIKey
BEMLWTKUQPQXNH-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)-3-oxopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

153.07898 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 135.9
[M+Na]+ 176.06820 145.8
[M+NH4]+ 171.11280 140.6
[M+K]+ 192.04214 137.7
[M-H]- 152.07170 131.0
[M+Na-2H]- 174.05365 137.7
[M]+ 153.07843 134.9
[M]- 153.07953 134.9
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