CID 54173588

2-[(tert-butoxy)carbonyl]butanoic acid

Structural Information

Molecular Formula
C9H16O4
SMILES
CCC(C(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C9H16O4/c1-5-6(7(10)11)8(12)13-9(2,3)4/h6H,5H2,1-4H3,(H,10,11)
InChIKey
OWRZGPZTYSOEPX-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

188.10486 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11214 141.3
[M+Na]+ 211.09408 147.3
[M-H]- 187.09758 140.3
[M+NH4]+ 206.13868 160.4
[M+K]+ 227.06802 148.0
[M+H-H2O]+ 171.10212 137.2
[M+HCOO]- 233.10306 159.6
[M+CH3COO]- 247.11871 181.3
[M+Na-2H]- 209.07953 143.6
[M]+ 188.10431 143.7
[M]- 188.10541 143.7
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