CID 13415065

4-chlorooxane-4-carbonitrile

Structural Information

Molecular Formula
C6H8ClNO
SMILES
C1COCCC1(C#N)Cl
InChI
InChI=1S/C6H8ClNO/c7-6(5-8)1-3-9-4-2-6/h1-4H2
InChIKey
YNBRGVZYAVNLRA-UHFFFAOYSA-N
Compound name
4-chlorooxane-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.02943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.036706 124.0
[M+Na]+ 168.018648 134.2
[M-H]- 144.022154 127.9
[M+NH4]+ 163.063253 144.7
[M+K]+ 183.992588 131.2
[M+H-H2O]+ 128.026690 114.0
[M+HCOO]- 190.027631 137.5
[M+CH3COO]- 204.043281 183.4
[M+Na-2H]- 166.004096 132.5
[M]+ 145.02888142 118.2
[M]- 145.02997858 118.2
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.