CID 124703423

2307754-79-4

Structural Information

Molecular Formula
C10H16O4
SMILES
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)O
InChI
InChI=1S/C10H16O4/c1-10(2,3)14-9(13)7-5-4-6(7)8(11)12/h6-7H,4-5H2,1-3H3,(H,11,12)/t6-,7-/m1/s1
InChIKey
JBBMXPFFCFHKDD-RNFRBKRXSA-N
Compound name
(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10486 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 144.5
[M+Na]+ 223.09408 148.9
[M-H]- 199.09758 146.6
[M+NH4]+ 218.13868 156.5
[M+K]+ 239.06802 152.0
[M+H-H2O]+ 183.10212 134.7
[M+HCOO]- 245.10306 161.5
[M+CH3COO]- 259.11871 186.0
[M+Na-2H]- 221.07953 146.3
[M]+ 200.10431 153.8
[M]- 200.10541 153.8
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

No patent data available for this compound.