CID 65194967

1-(2-ethoxyethyl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C9H16O3
SMILES
CCOCCC1(CCC1)C(=O)O
InChI
InChI=1S/C9H16O3/c1-2-12-7-6-9(8(10)11)4-3-5-9/h2-7H2,1H3,(H,10,11)
InChIKey
CZYYYFMXBNJDEJ-UHFFFAOYSA-N
Compound name
1-(2-ethoxyethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

172.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 138.9
[M+Na]+ 195.09916 143.4
[M-H]- 171.10266 140.8
[M+NH4]+ 190.14376 153.7
[M+K]+ 211.07310 145.8
[M+H-H2O]+ 155.10720 129.9
[M+HCOO]- 217.10814 158.3
[M+CH3COO]- 231.12379 180.5
[M+Na-2H]- 193.08461 143.4
[M]+ 172.10939 148.3
[M]- 172.11049 148.3
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