CID 335668

2-oxaindolizidine

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CCN2COCC2C1
InChI
InChI=1S/C7H13NO/c1-2-4-8-6-9-5-7(8)3-1/h7H,1-6H2
InChIKey
HCWAPSMTWACPRW-UHFFFAOYSA-N
Compound name
3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

127.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 125.3
[M+Na]+ 150.088938 130.8
[M-H]- 126.092444 127.9
[M+NH4]+ 145.133543 147.2
[M+K]+ 166.062878 131.0
[M+H-H2O]+ 110.096980 119.3
[M+HCOO]- 172.097921 143.3
[M+CH3COO]- 186.113571 138.4
[M+Na-2H]- 148.074386 131.8
[M]+ 127.09917142 120.7
[M]- 127.10026858 120.7
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