CID 130559171

4-(chloromethyl)oxane-4-carbonitrile

Structural Information

Molecular Formula
C7H10ClNO
SMILES
C1COCCC1(CCl)C#N
InChI
InChI=1S/C7H10ClNO/c8-5-7(6-9)1-3-10-4-2-7/h1-5H2
InChIKey
JANYHOUCPCKUGQ-UHFFFAOYSA-N
Compound name
4-(chloromethyl)oxane-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.04509 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.052366 128.0
[M+Na]+ 182.034308 137.8
[M-H]- 158.037814 131.7
[M+NH4]+ 177.078913 148.2
[M+K]+ 198.008248 134.5
[M+H-H2O]+ 142.042350 117.8
[M+HCOO]- 204.043291 141.2
[M+CH3COO]- 218.058941 186.1
[M+Na-2H]- 180.019756 136.0
[M]+ 159.04454142 122.5
[M]- 159.04563858 122.5
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.