CID 155819431

2445785-95-3

Structural Information

Molecular Formula
C8H10ClNO3
SMILES
COC(=O)CCC1=CN=C(O1)CCl
InChI
InChI=1S/C8H10ClNO3/c1-12-8(11)3-2-6-5-10-7(4-9)13-6/h5H,2-4H2,1H3
InChIKey
DZNVTFQHYXOAIC-UHFFFAOYSA-N
Compound name
methyl 3-[2-(chloromethyl)-1,3-oxazol-5-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.03493 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04221 140.4
[M+Na]+ 226.02415 149.8
[M-H]- 202.02765 143.4
[M+NH4]+ 221.06875 159.6
[M+K]+ 241.99809 148.5
[M+H-H2O]+ 186.03219 134.8
[M+HCOO]- 248.03313 158.9
[M+CH3COO]- 262.04878 181.3
[M+Na-2H]- 224.00960 145.2
[M]+ 203.03438 146.7
[M]- 203.03548 146.7
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.