CID 69170294

1-[(tert-butoxy)carbonyl]cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C10H16O4
SMILES
CC(C)(C)OC(=O)C1(CCC1)C(=O)O
InChI
InChI=1S/C10H16O4/c1-9(2,3)14-8(13)10(7(11)12)5-4-6-10/h4-6H2,1-3H3,(H,11,12)
InChIKey
BBQOMJWWCICJQN-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

200.10486 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 146.3
[M+Na]+ 223.09408 150.7
[M-H]- 199.09758 148.4
[M+NH4]+ 218.13868 160.1
[M+K]+ 239.06802 153.9
[M+H-H2O]+ 183.10212 137.8
[M+HCOO]- 245.10306 163.3
[M+CH3COO]- 259.11871 184.4
[M+Na-2H]- 221.07953 149.9
[M]+ 200.10431 155.6
[M]- 200.10541 155.6
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