CID 62225834

4-hydroxyoxane-4-carboxamide

Structural Information

Molecular Formula
C6H11NO3
SMILES
C1COCCC1(C(=O)N)O
InChI
InChI=1S/C6H11NO3/c7-5(8)6(9)1-3-10-4-2-6/h9H,1-4H2,(H2,7,8)
InChIKey
QQEWNVXINVYCDE-UHFFFAOYSA-N
Compound name
4-hydroxyoxane-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

145.0739 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.08118 129.2
[M+Na]+ 168.06312 134.4
[M-H]- 144.06662 131.2
[M+NH4]+ 163.10772 149.5
[M+K]+ 184.03706 135.1
[M+H-H2O]+ 128.07116 124.6
[M+HCOO]- 190.07210 148.1
[M+CH3COO]- 204.08775 170.6
[M+Na-2H]- 166.04857 135.6
[M]+ 145.07335 124.0
[M]- 145.07445 124.0
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

patents stripe