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]+ 160.05237 128.0
[M+Na]+ 182.03431 137.8
[M-H]- 158.03781 131.7
[M+NH4]+ 177.07891 148.2
[M+K]+ 198.00825 134.5
[M+H-H2O]+ 142.04235 117.8
[M+HCOO]- 204.04329 141.2
[M+CH3COO]- 218.05894 186.1
[M+Na-2H]- 180.01976 136.0
[M]+ 159.04454 122.5
[M]- 159.04564 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.