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

180
Patents

122.04984 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.057116 122.6
[M+Na]+ 145.039058 130.8
[M-H]- 121.042564 123.0
[M+NH4]+ 140.083663 146.0
[M+K]+ 161.012998 129.6
[M+H-H2O]+ 105.047100 119.5
[M+HCOO]- 167.048041 141.5
[M+CH3COO]- 181.063691 171.0
[M+Na-2H]- 143.024506 128.7
[M]+ 122.04929142 126.0
[M]- 122.05038858 126.0
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