CID 22978371

2-(1-formylcyclopropyl)acetonitrile

Structural Information

Molecular Formula
C6H7NO
SMILES
C1CC1(CC#N)C=O
InChI
InChI=1S/C6H7NO/c7-4-3-6(5-8)1-2-6/h5H,1-3H2
InChIKey
WETCYLZJPYQRMI-UHFFFAOYSA-N
Compound name
2-(1-formylcyclopropyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

109.052765 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 123.0
[M+Na]+ 132.04198 134.9
[M+NH4]+ 127.08659 130.0
[M+K]+ 148.01592 126.4
[M-H]- 108.04549 123.5
[M+Na-2H]- 130.02743 130.0
[M]+ 109.05222 125.1
[M]- 109.05331 125.1
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