CID 118609

1-(chloromethoxy)-2-methylpropane

Structural Information

Molecular Formula
C5H11ClO
SMILES
CC(C)COCCl
InChI
InChI=1S/C5H11ClO/c1-5(2)3-7-4-6/h5H,3-4H2,1-2H3
InChIKey
RRRBNCDKPVHUNU-UHFFFAOYSA-N
Compound name
1-(chloromethoxy)-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

154
Patents

122.04984 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05712 121.3
[M+Na]+ 145.03906 133.1
[M+NH4]+ 140.08366 130.5
[M+K]+ 161.01300 127.0
[M-H]- 121.04256 121.4
[M+Na-2H]- 143.02451 126.3
[M]+ 122.04929 123.2
[M]- 122.05039 123.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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