CID 10240954

2-(chloromethyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole

Structural Information

Molecular Formula
C6H10ClNO
SMILES
CC1(COC(=N1)CCl)C
InChI
InChI=1S/C6H10ClNO/c1-6(2)4-9-5(3-7)8-6/h3-4H2,1-2H3
InChIKey
LVPIFYYRWKTPQY-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

147.04509 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05237 125.6
[M+Na]+ 170.03431 135.7
[M-H]- 146.03781 128.7
[M+NH4]+ 165.07891 149.2
[M+K]+ 186.00825 134.6
[M+H-H2O]+ 130.04235 121.5
[M+HCOO]- 192.04329 143.8
[M+CH3COO]- 206.05894 171.9
[M+Na-2H]- 168.01976 133.0
[M]+ 147.04454 128.5
[M]- 147.04564 128.5
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