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]+ 173.11722 140.6
[M+Na]+ 195.09916 144.8
[M-H]- 171.10266 142.6
[M+NH4]+ 190.14376 155.4
[M+K]+ 211.07310 147.7
[M+H-H2O]+ 155.10720 131.6
[M+HCOO]- 217.10814 159.0
[M+CH3COO]- 231.12379 181.3
[M+Na-2H]- 193.08461 143.7
[M]+ 172.10939 149.4
[M]- 172.11049 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.