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

69
Patents

112.06366 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 119.8
[M+Na]+ 135.05288 129.4
[M-H]- 111.05638 123.3
[M+NH4]+ 130.09748 141.8
[M+K]+ 151.02682 128.2
[M+H-H2O]+ 95.060920 108.7
[M+HCOO]- 157.06186 139.7
[M+CH3COO]- 171.07751 180.7
[M+Na-2H]- 133.03833 127.2
[M]+ 112.06311 112.1
[M]- 112.06421 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