CID 1516411

2-cyclobutylacetic acid

Structural Information

Molecular Formula
C6H10O2
SMILES
C1CC(C1)CC(=O)O
InChI
InChI=1S/C6H10O2/c7-6(8)4-5-2-1-3-5/h5H,1-4H2,(H,7,8)
InChIKey
FQRMJJJRCOMBKG-UHFFFAOYSA-N
Compound name
2-cyclobutylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

602
Patents

114.06808 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 123.0
[M+Na]+ 137.05730 128.3
[M+NH4]+ 132.10190 127.1
[M+K]+ 153.03124 125.8
[M-H]- 113.06080 120.5
[M+Na-2H]- 135.04275 124.8
[M]+ 114.06753 121.6
[M]- 114.06863 121.6
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

patents stripe