CID 5743496

2-(chloromethyl)-3-methyloxirane

Structural Information

Molecular Formula
C4H7ClO
SMILES
CC1C(O1)CCl
InChI
InChI=1S/C4H7ClO/c1-3-4(2-5)6-3/h3-4H,2H2,1H3
InChIKey
MMTOSBCMFDNOIY-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-3-methyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

631
Patents

106.01854 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.02582 114.6
[M+Na]+ 129.00776 129.0
[M+NH4]+ 124.05236 124.8
[M+K]+ 144.98170 124.6
[M-H]- 105.01126 124.3
[M+Na-2H]- 126.99321 123.3
[M]+ 106.01799 120.8
[M]- 106.01909 120.8
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

patents stripe