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]+ 112.07569 118.0
[M+Na]+ 134.05763 132.8
[M-H]- 110.06113 124.5
[M+NH4]+ 129.10223 136.0
[M+K]+ 150.03157 129.0
[M+H-H2O]+ 94.065670 108.9
[M+HCOO]- 156.06661 139.9
[M+CH3COO]- 170.08226 186.3
[M+Na-2H]- 132.04308 126.3
[M]+ 111.06786 118.0
[M]- 111.06896 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