CID 89197

2-methyltetrahydrofuran-2-carbonitrile

Structural Information

Molecular Formula
C6H9NO
SMILES
CC1(CCCO1)C#N
InChI
InChI=1S/C6H9NO/c1-6(5-7)3-2-4-8-6/h2-4H2,1H3
InChIKey
ANKPAVMLGPOZOZ-UHFFFAOYSA-N
Compound name
2-methyloxolane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

111.06841 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 121.6
[M+Na]+ 134.05763 131.8
[M+NH4]+ 129.10223 128.5
[M+K]+ 150.03157 123.6
[M-H]- 110.06113 116.9
[M+Na-2H]- 132.04308 125.5
[M]+ 111.06786 120.9
[M]- 111.06896 120.9
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

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