CID 11446305

476415-60-8

Structural Information

Molecular Formula
C6H9NO
SMILES
C1COCC1CC#N
InChI
InChI=1S/C6H9NO/c7-3-1-6-2-4-8-5-6/h6H,1-2,4-5H2
InChIKey
RWNLNUQZBGAUKN-UHFFFAOYSA-N
Compound name
2-(oxolan-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

111.06841 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 118.7
[M+Na]+ 134.05763 127.8
[M-H]- 110.06113 122.2
[M+NH4]+ 129.10223 139.5
[M+K]+ 150.03157 127.1
[M+H-H2O]+ 94.065670 107.1
[M+HCOO]- 156.06661 138.0
[M+CH3COO]- 170.08226 180.1
[M+Na-2H]- 132.04308 125.4
[M]+ 111.06786 112.7
[M]- 111.06896 112.7
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