CID 146049032

2-(1-methoxycyclopropyl)acetonitrile

Structural Information

Molecular Formula
C6H9NO
SMILES
COC1(CC1)CC#N
InChI
InChI=1S/C6H9NO/c1-8-6(2-3-6)4-5-7/h2-4H2,1H3
InChIKey
IDSMTFJZCYPNBY-UHFFFAOYSA-N
Compound name
2-(1-methoxycyclopropyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.06841 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 122.8
[M+Na]+ 134.05763 134.7
[M+NH4]+ 129.10223 130.0
[M+K]+ 150.03157 126.3
[M-H]- 110.06113 123.5
[M+Na-2H]- 132.04308 129.9
[M]+ 111.06786 125.0
[M]- 111.06896 125.0
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

No patent data available for this compound.