CID 11848

2,3-dimethylsuccinic acid

Structural Information

Molecular Formula
C6H10O4
SMILES
CC(C(C)C(=O)O)C(=O)O
InChI
InChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)
InChIKey
KLZYRCVPDWTZLH-UHFFFAOYSA-N
Compound name
2,3-dimethylbutanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

4179
Patents

146.0579 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06518 129.3
[M+Na]+ 169.04712 135.3
[M-H]- 145.05062 127.0
[M+NH4]+ 164.09172 148.9
[M+K]+ 185.02106 135.8
[M+H-H2O]+ 129.05516 125.2
[M+HCOO]- 191.05610 147.5
[M+CH3COO]- 205.07175 171.7
[M+Na-2H]- 167.03257 130.3
[M]+ 146.05735 128.6
[M]- 146.05845 128.6
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