CID 124539977

21003-42-9

Structural Information

Molecular Formula
C8H14O2
SMILES
CC(C)(C)[C@@H]1C[C@H]1C(=O)O
InChI
InChI=1S/C8H14O2/c1-8(2,3)6-4-5(6)7(9)10/h5-6H,4H2,1-3H3,(H,9,10)/t5-,6-/m1/s1
InChIKey
JFJVSZSPJXVIHD-PHDIDXHHSA-N
Compound name
(1R,2R)-2-tert-butylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 129.1
[M+Na]+ 165.08860 138.5
[M-H]- 141.09210 133.0
[M+NH4]+ 160.13320 145.8
[M+K]+ 181.06254 136.6
[M+H-H2O]+ 125.09664 124.7
[M+HCOO]- 187.09758 149.4
[M+CH3COO]- 201.11323 177.2
[M+Na-2H]- 163.07405 134.3
[M]+ 142.09883 132.0
[M]- 142.09993 132.0
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.