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

21
Patents

172.07356 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.080836 138.8
[M+Na]+ 195.062778 143.0
[M-H]- 171.066284 139.4
[M+NH4]+ 190.107383 152.6
[M+K]+ 211.036718 145.3
[M+H-H2O]+ 155.070820 129.9
[M+HCOO]- 217.071761 156.3
[M+CH3COO]- 231.087411 177.1
[M+Na-2H]- 193.048226 141.9
[M]+ 172.07301142 146.0
[M]- 172.07410858 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