CID 83479156

En300-1825971

Structural Information

Molecular Formula
C8H14O2
SMILES
CCC1(CC1(C)C)C(=O)O
InChI
InChI=1S/C8H14O2/c1-4-8(6(9)10)5-7(8,2)3/h4-5H2,1-3H3,(H,9,10)
InChIKey
OVWNZJXLSIORHC-UHFFFAOYSA-N
Compound name
1-ethyl-2,2-dimethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

142.09938 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 129.5
[M+Na]+ 165.08860 139.8
[M-H]- 141.09210 133.8
[M+NH4]+ 160.13320 149.7
[M+K]+ 181.06254 139.3
[M+H-H2O]+ 125.09664 127.1
[M+HCOO]- 187.09758 150.5
[M+CH3COO]- 201.11323 177.0
[M+Na-2H]- 163.07405 136.2
[M]+ 142.09883 133.8
[M]- 142.09993 133.8
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