CID 47796

66016-16-8

Structural Information

Molecular Formula
C7H12O2
SMILES
CCC1CC(C1)C(=O)O
InChI
InChI=1S/C7H12O2/c1-2-5-3-6(4-5)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)
InChIKey
KHJZSHCMTBYQFG-UHFFFAOYSA-N
Compound name
3-ethylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

128.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 125.3
[M+Na]+ 151.07294 130.9
[M-H]- 127.07644 127.7
[M+NH4]+ 146.11754 140.4
[M+K]+ 167.04688 133.3
[M+H-H2O]+ 111.08098 115.9
[M+HCOO]- 173.08192 145.3
[M+CH3COO]- 187.09757 174.2
[M+Na-2H]- 149.05839 129.2
[M]+ 128.08317 132.7
[M]- 128.08427 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