CID 16586

3-(chloromethyl)-3-ethyloxetane

Structural Information

Molecular Formula
C6H11ClO
SMILES
CCC1(COC1)CCl
InChI
InChI=1S/C6H11ClO/c1-2-6(3-7)4-8-5-6/h2-5H2,1H3
InChIKey
UKLWXKWTXHHMFK-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-3-ethyloxetane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1460
Patents

134.04984 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.057116 118.2
[M+Na]+ 157.039058 125.7
[M-H]- 133.042564 122.5
[M+NH4]+ 152.083663 135.4
[M+K]+ 173.012998 127.7
[M+H-H2O]+ 117.047100 111.1
[M+HCOO]- 179.048041 135.5
[M+CH3COO]- 193.063691 174.2
[M+Na-2H]- 155.024506 127.4
[M]+ 134.04929142 129.3
[M]- 134.05038858 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe