CID 18704318

2-[1-(carboxymethyl)cyclobutyl]acetic acid

Structural Information

Molecular Formula
C8H12O4
SMILES
C1CC(C1)(CC(=O)O)CC(=O)O
InChI
InChI=1S/C8H12O4/c9-6(10)4-8(2-1-3-8)5-7(11)12/h1-5H2,(H,9,10)(H,11,12)
InChIKey
AONQUGXTXFELHL-UHFFFAOYSA-N
Compound name
2-[1-(carboxymethyl)cyclobutyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

172.07356 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 138.8
[M+Na]+ 195.06278 143.0
[M-H]- 171.06628 139.4
[M+NH4]+ 190.10738 152.6
[M+K]+ 211.03672 145.3
[M+H-H2O]+ 155.07082 129.9
[M+HCOO]- 217.07176 156.3
[M+CH3COO]- 231.08741 177.1
[M+Na-2H]- 193.04823 141.9
[M]+ 172.07301 146.0
[M]- 172.07411 146.0
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