CID 69466

2-ethylbutanedioic acid

Structural Information

Molecular Formula
C6H10O4
SMILES
CCC(CC(=O)O)C(=O)O
InChI
InChI=1S/C6H10O4/c1-2-4(6(9)10)3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKey
RVHOBHMAPRVOLO-UHFFFAOYSA-N
Compound name
2-ethylbutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

47
References

14442
Patents

146.0579 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.065176 129.5
[M+Na]+ 169.047118 135.7
[M-H]- 145.050624 127.2
[M+NH4]+ 164.091723 149.2
[M+K]+ 185.021058 135.8
[M+H-H2O]+ 129.055160 125.3
[M+HCOO]- 191.056101 148.7
[M+CH3COO]- 205.071751 170.7
[M+Na-2H]- 167.032566 131.8
[M]+ 146.05735142 129.4
[M]- 146.05844858 129.4
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