CID 116769451

1601113-93-2

Structural Information

Molecular Formula
C9H16O3
SMILES
CC1(CCC(C1)(C(=O)O)OC)C
InChI
InChI=1S/C9H16O3/c1-8(2)4-5-9(6-8,12-3)7(10)11/h4-6H2,1-3H3,(H,10,11)
InChIKey
YJRLRDBDDQZSMX-UHFFFAOYSA-N
Compound name
1-methoxy-3,3-dimethylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10994 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 136.0
[M+Na]+ 195.099158 143.6
[M-H]- 171.102664 138.5
[M+NH4]+ 190.143763 161.5
[M+K]+ 211.073098 143.1
[M+H-H2O]+ 155.107200 133.3
[M+HCOO]- 217.108141 156.7
[M+CH3COO]- 231.123791 176.0
[M+Na-2H]- 193.084606 140.4
[M]+ 172.10939142 136.0
[M]- 172.11048858 136.0
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.