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]+ 173.11722 136.0
[M+Na]+ 195.09916 143.6
[M-H]- 171.10266 138.5
[M+NH4]+ 190.14376 161.5
[M+K]+ 211.07310 143.1
[M+H-H2O]+ 155.10720 133.3
[M+HCOO]- 217.10814 156.7
[M+CH3COO]- 231.12379 176.0
[M+Na-2H]- 193.08461 140.4
[M]+ 172.10939 136.0
[M]- 172.11049 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.