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

608
Patents

128.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 128.2
[M+Na]+ 151.07294 133.5
[M+NH4]+ 146.11754 133.6
[M+K]+ 167.04688 129.1
[M-H]- 127.07644 125.7
[M+Na-2H]- 149.05839 131.2
[M]+ 128.08317 127.0
[M]- 128.08427 127.0
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