CID 331677

3-(chloromethyl)-2,2-dimethyloxirane

Structural Information

Molecular Formula
C5H9ClO
SMILES
CC1(C(O1)CCl)C
InChI
InChI=1S/C5H9ClO/c1-5(2)4(3-6)7-5/h4H,3H2,1-2H3
InChIKey
CHKXVLMZDALGOS-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-2,2-dimethyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

120.034195 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04147 119.0
[M+Na]+ 143.02341 130.5
[M-H]- 119.02692 125.0
[M+NH4]+ 138.06802 138.5
[M+K]+ 158.99735 130.0
[M+H-H2O]+ 103.03146 115.6
[M+HCOO]- 165.03240 137.8
[M+CH3COO]- 179.04805 172.9
[M+Na-2H]- 141.00886 128.3
[M]+ 120.03365 125.3
[M]- 120.03474 125.3
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