CID 47797

66016-17-9

Structural Information

Molecular Formula
C8H14O2
SMILES
CCCC1CC(C1)C(=O)O
InChI
InChI=1S/C8H14O2/c1-2-3-6-4-7(5-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey
XYBJCZJXGGQMTQ-UHFFFAOYSA-N
Compound name
3-propylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

142.09938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 130.1
[M+Na]+ 165.08860 135.2
[M-H]- 141.09210 132.2
[M+NH4]+ 160.13320 144.6
[M+K]+ 181.06254 137.3
[M+H-H2O]+ 125.09664 120.4
[M+HCOO]- 187.09758 149.7
[M+CH3COO]- 201.11323 177.1
[M+Na-2H]- 163.07405 133.4
[M]+ 142.09883 137.8
[M]- 142.09993 137.8
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