CID 20320726

2-ethylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C7H12O2
SMILES
CCC1CCC1C(=O)O
InChI
InChI=1S/C7H12O2/c1-2-5-3-4-6(5)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)
InChIKey
CXHDLNCVGYLHMM-UHFFFAOYSA-N
Compound name
2-ethylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

128.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 125.3
[M+Na]+ 151.072938 130.9
[M-H]- 127.076444 127.7
[M+NH4]+ 146.117543 140.4
[M+K]+ 167.046878 133.3
[M+H-H2O]+ 111.080980 115.9
[M+HCOO]- 173.081921 145.3
[M+CH3COO]- 187.097571 174.2
[M+Na-2H]- 149.058386 129.2
[M]+ 128.08317142 132.7
[M]- 128.08426858 132.7
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