CID 47798

66016-18-0

Structural Information

Molecular Formula
C9H16O2
SMILES
CCCCC1CC(C1)C(=O)O
InChI
InChI=1S/C9H16O2/c1-2-3-4-7-5-8(6-7)9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
InChIKey
SBOOJIXNMWZCGM-UHFFFAOYSA-N
Compound name
3-butylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

156.11504 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 134.8
[M+Na]+ 179.104258 139.5
[M-H]- 155.107764 136.7
[M+NH4]+ 174.148863 148.7
[M+K]+ 195.078198 141.4
[M+H-H2O]+ 139.112300 124.9
[M+HCOO]- 201.113241 154.1
[M+CH3COO]- 215.128891 180.1
[M+Na-2H]- 177.089706 137.6
[M]+ 156.11449142 142.9
[M]- 156.11558858 142.9
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