CID 62343094

1801616-85-2

Structural Information

Molecular Formula
C7H12O4
SMILES
COCCOC/C=C/C(=O)O
InChI
InChI=1S/C7H12O4/c1-10-5-6-11-4-2-3-7(8)9/h2-3H,4-6H2,1H3,(H,8,9)/b3-2+
InChIKey
LSVMUVOLQCXHMU-NSCUHMNNSA-N
Compound name
(E)-4-(2-methoxyethoxy)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.07356 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08084 133.1
[M+Na]+ 183.06278 139.9
[M-H]- 159.06628 131.9
[M+NH4]+ 178.10738 153.2
[M+K]+ 199.03672 139.6
[M+H-H2O]+ 143.07082 128.4
[M+HCOO]- 205.07176 155.5
[M+CH3COO]- 219.08741 173.8
[M+Na-2H]- 181.04823 138.0
[M]+ 160.07301 136.6
[M]- 160.07411 136.6
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.