CID 66071945

2-cyclopropyl-2-methoxyacetonitrile

Structural Information

Molecular Formula
C6H9NO
SMILES
COC(C#N)C1CC1
InChI
InChI=1S/C6H9NO/c1-8-6(4-7)5-2-3-5/h5-6H,2-3H2,1H3
InChIKey
FMUXDASZJKJXSD-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-methoxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

111.06841 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 118.0
[M+Na]+ 134.057628 132.8
[M-H]- 110.061134 124.5
[M+NH4]+ 129.102233 136.0
[M+K]+ 150.031568 129.0
[M+H-H2O]+ 94.065670 108.9
[M+HCOO]- 156.066611 139.9
[M+CH3COO]- 170.082261 186.3
[M+Na-2H]- 132.043076 126.3
[M]+ 111.06786142 118.0
[M]- 111.06895858 118.0
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