CID 155978120

2384295-33-2

Structural Information

Molecular Formula
C9H14O3
SMILES
CC(C)(C)C1C(CC1=O)C(=O)O
InChI
InChI=1S/C9H14O3/c1-9(2,3)7-5(8(11)12)4-6(7)10/h5,7H,4H2,1-3H3,(H,11,12)
InChIKey
VAEZUYDWZRJLTN-UHFFFAOYSA-N
Compound name
2-tert-butyl-3-oxocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 135.6
[M+Na]+ 193.08352 141.8
[M-H]- 169.08702 138.3
[M+NH4]+ 188.12812 149.3
[M+K]+ 209.05746 144.1
[M+H-H2O]+ 153.09156 126.6
[M+HCOO]- 215.09250 153.7
[M+CH3COO]- 229.10815 182.0
[M+Na-2H]- 191.06897 138.6
[M]+ 170.09375 144.3
[M]- 170.09485 144.3
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

No patent data available for this compound.