CID 176472652

2,4-dihydroxy-1,3,3-trimethylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C8H14O4
SMILES
CC1(C(C(C1O)(C)C(=O)O)O)C
InChI
InChI=1S/C8H14O4/c1-7(2)4(9)8(3,5(7)10)6(11)12/h4-5,9-10H,1-3H3,(H,11,12)
InChIKey
YFLGYIURWNESQF-UHFFFAOYSA-N
Compound name
2,4-dihydroxy-1,3,3-trimethylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.0892 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.096476 138.4
[M+Na]+ 197.078418 145.7
[M-H]- 173.081924 139.1
[M+NH4]+ 192.123023 154.5
[M+K]+ 213.052358 147.3
[M+H-H2O]+ 157.086460 132.2
[M+HCOO]- 219.087401 155.1
[M+CH3COO]- 233.103051 178.1
[M+Na-2H]- 195.063866 141.6
[M]+ 174.08865142 146.7
[M]- 174.08974858 146.7
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.