CID 66896428

1021273-74-4

Structural Information

Molecular Formula
C12H20O4
SMILES
CC(C)(C)OC(=O)C1CCC(CC1)C(=O)O
InChI
InChI=1S/C12H20O4/c1-12(2,3)16-11(15)9-6-4-8(5-7-9)10(13)14/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKey
SVTFYLMWINQYFM-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

228.13615 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14343 152.1
[M+Na]+ 251.12537 159.7
[M+NH4]+ 246.16997 158.0
[M+K]+ 267.09931 157.0
[M-H]- 227.12887 150.7
[M+Na-2H]- 249.11082 153.8
[M]+ 228.13560 152.4
[M]- 228.13670 152.4
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

patents stripe