CID 21996033

1-ethylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C7H12O2
SMILES
CCC1(CCC1)C(=O)O
InChI
InChI=1S/C7H12O2/c1-2-7(6(8)9)4-3-5-7/h2-5H2,1H3,(H,8,9)
InChIKey
XLUXAKJPHJEFKL-UHFFFAOYSA-N
Compound name
1-ethylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

663
Patents

128.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 127.1
[M+Na]+ 151.072938 132.7
[M-H]- 127.076444 129.6
[M+NH4]+ 146.117543 143.9
[M+K]+ 167.046878 135.1
[M+H-H2O]+ 111.080980 118.8
[M+HCOO]- 173.081921 147.1
[M+CH3COO]- 187.097571 172.7
[M+Na-2H]- 149.058386 132.7
[M]+ 128.08317142 134.5
[M]- 128.08426858 134.5
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