CID 3759705

2-(oxan-4-yl)acetonitrile

Structural Information

Molecular Formula
C7H11NO
SMILES
C1COCCC1CC#N
InChI
InChI=1S/C7H11NO/c8-4-1-7-2-5-9-6-3-7/h7H,1-3,5-6H2
InChIKey
IOWDVKYQRLPOLY-UHFFFAOYSA-N
Compound name
2-(oxan-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

125.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 121.8
[M+Na]+ 148.07328 129.6
[M-H]- 124.07678 125.1
[M+NH4]+ 143.11788 140.5
[M+K]+ 164.04722 128.8
[M+H-H2O]+ 108.08132 110.1
[M+HCOO]- 170.08226 139.0
[M+CH3COO]- 184.09791 183.0
[M+Na-2H]- 146.05873 129.2
[M]+ 125.08351 114.3
[M]- 125.08461 114.3
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