CID 67973195

1-(1-hydroxypropyl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C8H14O3
SMILES
CCC(C1(CCC1)C(=O)O)O
InChI
InChI=1S/C8H14O3/c1-2-6(9)8(7(10)11)4-3-5-8/h6,9H,2-5H2,1H3,(H,10,11)
InChIKey
MJSSVGHPIPQTNI-UHFFFAOYSA-N
Compound name
1-(1-hydroxypropyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

158.0943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 137.8
[M+Na]+ 181.083518 142.0
[M-H]- 157.087024 138.5
[M+NH4]+ 176.128123 152.4
[M+K]+ 197.057458 144.2
[M+H-H2O]+ 141.091560 129.1
[M+HCOO]- 203.092501 155.0
[M+CH3COO]- 217.108151 175.9
[M+Na-2H]- 179.068966 140.8
[M]+ 158.09375142 144.3
[M]- 158.09484858 144.3
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

No patent data available for this compound.