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

20
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 118.8
[M+Na]+ 132.04198 135.0
[M-H]- 108.04549 125.9
[M+NH4]+ 127.08659 138.7
[M+K]+ 148.01592 130.5
[M+H-H2O]+ 92.050025 111.0
[M+HCOO]- 154.05097 141.5
[M+CH3COO]- 168.06662 184.4
[M+Na-2H]- 130.02743 129.0
[M]+ 109.05222 119.3
[M]- 109.05331 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