CID 134692108

Chebi:141413

Structural Information

Molecular Formula
C7H9NO4
SMILES
CN(/C=C\1/C[C@@H](OC1=O)O)C=O
InChI
InChI=1S/C7H9NO4/c1-8(4-9)3-5-2-6(10)12-7(5)11/h3-4,6,10H,2H2,1H3/b5-3-/t6-/m1/s1
InChIKey
CKZDQHXHGRMYBG-CWVDAHFDSA-N
Compound name
N-[(Z)-[(5R)-5-hydroxy-2-oxooxolan-3-ylidene]methyl]-N-methylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.05316 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06044 132.6
[M+Na]+ 194.04238 140.1
[M-H]- 170.04588 137.0
[M+NH4]+ 189.08698 153.1
[M+K]+ 210.01632 140.7
[M+H-H2O]+ 154.05042 127.6
[M+HCOO]- 216.05136 156.1
[M+CH3COO]- 230.06701 179.1
[M+Na-2H]- 192.02783 136.6
[M]+ 171.05261 133.1
[M]- 171.05371 133.1
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

No patent data available for this compound.