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

6
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 118.4
[M+Na]+ 134.05763 128.6
[M-H]- 110.06113 122.4
[M+NH4]+ 129.10223 141.1
[M+K]+ 150.03157 127.3
[M+H-H2O]+ 94.065670 107.7
[M+HCOO]- 156.06661 137.8
[M+CH3COO]- 170.08226 179.7
[M+Na-2H]- 132.04308 126.2
[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

literature stripe

Patent stripe

patents stripe