CID 11815837

Oxane-4-carbonitrile

Structural Information

Molecular Formula
C6H9NO
SMILES
C1COCCC1C#N
InChI
InChI=1S/C6H9NO/c7-5-6-1-3-8-4-2-6/h6H,1-4H2
InChIKey
RLZJFTOYCVIYLE-UHFFFAOYSA-N
Compound name
oxane-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

866
Patents

111.06841 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 117.7
[M+Na]+ 134.057628 126.0
[M-H]- 110.061134 121.2
[M+NH4]+ 129.102233 137.0
[M+K]+ 150.031568 125.4
[M+H-H2O]+ 94.065670 106.2
[M+HCOO]- 156.066611 135.3
[M+CH3COO]- 170.082261 180.3
[M+Na-2H]- 132.043076 125.7
[M]+ 111.06786142 109.9
[M]- 111.06895858 109.9
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