CID 122163691

1-[(tert-butoxy)carbonyl]-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C13H22O4
SMILES
CC1(C(C1(C(=O)O)C(=O)OC(C)(C)C)(C)C)C
InChI
InChI=1S/C13H22O4/c1-10(2,3)17-9(16)13(8(14)15)11(4,5)12(13,6)7/h1-7H3,(H,14,15)
InChIKey
HDNPSMJORNYWOV-UHFFFAOYSA-N
Compound name
2,2,3,3-tetramethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.15181 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.15909 150.5
[M+Na]+ 265.14103 160.6
[M-H]- 241.14453 154.8
[M+NH4]+ 260.18563 169.1
[M+K]+ 281.11497 161.2
[M+H-H2O]+ 225.14907 150.5
[M+HCOO]- 287.15001 167.5
[M+CH3COO]- 301.16566 195.3
[M+Na-2H]- 263.12648 156.0
[M]+ 242.15126 158.9
[M]- 242.15236 158.9
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.