CID 45089967

126110-37-0

Structural Information

Molecular Formula
C8H14O2
SMILES
C[C@@H]1CC[C@H](C1)C(=O)OC
InChI
InChI=1S/C8H14O2/c1-6-3-4-7(5-6)8(9)10-2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKey
JEKZTDHRSRGRJE-RNFRBKRXSA-N
Compound name
methyl (1R,3R)-3-methylcyclopentane-1-carboxylate
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 130.9
[M+Na]+ 165.08860 137.6
[M-H]- 141.09210 134.3
[M+NH4]+ 160.13320 154.4
[M+K]+ 181.06254 137.5
[M+H-H2O]+ 125.09664 126.2
[M+HCOO]- 187.09758 153.3
[M+CH3COO]- 201.11323 173.6
[M+Na-2H]- 163.07405 133.5
[M]+ 142.09883 130.1
[M]- 142.09993 130.1
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.