CID 136453

2,2,3,3-tetramethylsuccinic acid

Structural Information

Molecular Formula
C8H14O4
SMILES
CC(C)(C(=O)O)C(C)(C)C(=O)O
InChI
InChI=1S/C8H14O4/c1-7(2,5(9)10)8(3,4)6(11)12/h1-4H3,(H,9,10)(H,11,12)
InChIKey
CDPPYCZVWYZBJH-UHFFFAOYSA-N
Compound name
2,2,3,3-tetramethylbutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2669
Patents

174.0892 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09648 135.8
[M+Na]+ 197.07842 142.3
[M-H]- 173.08192 133.7
[M+NH4]+ 192.12302 154.7
[M+K]+ 213.05236 142.3
[M+H-H2O]+ 157.08646 132.7
[M+HCOO]- 219.08740 152.3
[M+CH3COO]- 233.10305 176.6
[M+Na-2H]- 195.06387 140.3
[M]+ 174.08865 136.2
[M]- 174.08975 136.2
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