CID 25220785

1018128-18-1

Structural Information

Molecular Formula
C7H10ClNO
SMILES
CC(C)C1=CC(=NO1)CCl
InChI
InChI=1S/C7H10ClNO/c1-5(2)7-3-6(4-8)9-10-7/h3,5H,4H2,1-2H3
InChIKey
UGAJDIZLJMKLBN-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5-propan-2-yl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.04509 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05237 131.1
[M+Na]+ 182.03431 140.7
[M-H]- 158.03781 134.2
[M+NH4]+ 177.07891 152.3
[M+K]+ 198.00825 139.3
[M+H-H2O]+ 142.04235 126.0
[M+HCOO]- 204.04329 149.3
[M+CH3COO]- 218.05894 175.8
[M+Na-2H]- 180.01976 136.4
[M]+ 159.04454 135.0
[M]- 159.04564 135.0
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

No patent data available for this compound.