CID 53485729

1-(2-methylpropyl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C9H16O2
SMILES
CC(C)CC1(CCC1)C(=O)O
InChI
InChI=1S/C9H16O2/c1-7(2)6-9(8(10)11)4-3-5-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKey
USBGKMQRCNIFRV-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

156.11504 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 138.1
[M+Na]+ 179.104258 142.5
[M-H]- 155.107764 140.2
[M+NH4]+ 174.148863 153.7
[M+K]+ 195.078198 144.9
[M+H-H2O]+ 139.112300 129.4
[M+HCOO]- 201.113241 156.4
[M+CH3COO]- 215.128891 179.4
[M+Na-2H]- 177.089706 141.2
[M]+ 156.11449142 145.5
[M]- 156.11558858 145.5
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