CID 54595596

1354963-38-4

Structural Information

Molecular Formula
C5H8N2O
SMILES
C1COCC1(C#N)N
InChI
InChI=1S/C5H8N2O/c6-3-5(7)1-2-8-4-5/h1-2,4,7H2
InChIKey
DESOQXQPWQVATO-UHFFFAOYSA-N
Compound name
3-aminooxolane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

112.06366 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.070936 119.8
[M+Na]+ 135.052878 129.4
[M-H]- 111.056384 123.3
[M+NH4]+ 130.097483 141.8
[M+K]+ 151.026818 128.2
[M+H-H2O]+ 95.060920 108.7
[M+HCOO]- 157.061861 139.7
[M+CH3COO]- 171.077511 180.7
[M+Na-2H]- 133.038326 127.2
[M]+ 112.06311142 112.1
[M]- 112.06420858 112.1
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