CID 13759790

112799-20-9

Structural Information

Molecular Formula
C10H16N2O
SMILES
C1CCN(C1)C2(CCOCC2)C#N
InChI
InChI=1S/C10H16N2O/c11-9-10(3-7-13-8-4-10)12-5-1-2-6-12/h1-8H2
InChIKey
HCBNNXSNPDALJJ-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-yloxane-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.12627 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.13355 136.3
[M+Na]+ 203.11549 143.7
[M-H]- 179.11899 140.1
[M+NH4]+ 198.16009 154.6
[M+K]+ 219.08943 140.4
[M+H-H2O]+ 163.12353 122.9
[M+HCOO]- 225.12447 150.7
[M+CH3COO]- 239.14012 147.2
[M+Na-2H]- 201.10094 141.1
[M]+ 180.12572 126.1
[M]- 180.12682 126.1
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

No patent data available for this compound.