CID 97033937

1-[(propan-2-yloxy)methyl]cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C9H16O3
SMILES
CC(C)OCC1(CCC1)C(=O)O
InChI
InChI=1S/C9H16O3/c1-7(2)12-6-9(8(10)11)4-3-5-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKey
JYMVLBRENHEORG-UHFFFAOYSA-N
Compound name
1-(propan-2-yloxymethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10994 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 140.6
[M+Na]+ 195.099158 144.8
[M-H]- 171.102664 142.6
[M+NH4]+ 190.143763 155.4
[M+K]+ 211.073098 147.7
[M+H-H2O]+ 155.107200 131.6
[M+HCOO]- 217.108141 159.0
[M+CH3COO]- 231.123791 181.3
[M+Na-2H]- 193.084606 143.7
[M]+ 172.10939142 149.4
[M]- 172.11048858 149.4
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.