CID 13155029

3-cyclobutylpropanoic acid

Structural Information

Molecular Formula
C7H12O2
SMILES
C1CC(C1)CCC(=O)O
InChI
InChI=1S/C7H12O2/c8-7(9)5-4-6-2-1-3-6/h6H,1-5H2,(H,8,9)
InChIKey
VNCXJXZUMVHKNG-UHFFFAOYSA-N
Compound name
3-cyclobutylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

202
Patents

128.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 127.4
[M+Na]+ 151.07294 132.6
[M+NH4]+ 146.11754 131.4
[M+K]+ 167.04688 129.8
[M-H]- 127.07644 124.9
[M+Na-2H]- 149.05839 129.0
[M]+ 128.08317 126.0
[M]- 128.08427 126.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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