CID 19793056

63861-26-7

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1(CCCC1C(=O)O)C
InChI
InChI=1S/C8H14O2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey
MQZBBUDJCMHPIP-UHFFFAOYSA-N
Compound name
2,2-dimethylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

142.09938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 130.4
[M+Na]+ 165.088598 137.5
[M-H]- 141.092104 132.7
[M+NH4]+ 160.133203 155.1
[M+K]+ 181.062538 136.5
[M+H-H2O]+ 125.096640 126.9
[M+HCOO]- 187.097581 151.2
[M+CH3COO]- 201.113231 171.2
[M+Na-2H]- 163.074046 133.8
[M]+ 142.09883142 128.0
[M]- 142.09992858 128.0
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

patents stripe