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

22
Patents

109.052765 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.060041 118.8
[M+Na]+ 132.041983 135.0
[M-H]- 108.045489 125.9
[M+NH4]+ 127.086588 138.7
[M+K]+ 148.015923 130.5
[M+H-H2O]+ 92.050025 111.0
[M+HCOO]- 154.050966 141.5
[M+CH3COO]- 168.066616 184.4
[M+Na-2H]- 130.027431 129.0
[M]+ 109.05221642 119.3
[M]- 109.05331358 119.3
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