CID 165753507

1-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C14H24N2O4
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2(CCC2)C(=O)O
InChI
InChI=1S/C14H24N2O4/c1-13(2,3)20-12(19)15-7-9-16(10-8-15)14(11(17)18)5-4-6-14/h4-10H2,1-3H3,(H,17,18)
InChIKey
MXTCSNWDHAJXKO-UHFFFAOYSA-N
Compound name
1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1736 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.180876 169.6
[M+Na]+ 307.162818 171.5
[M-H]- 283.166324 170.8
[M+NH4]+ 302.207423 177.1
[M+K]+ 323.136758 174.1
[M+H-H2O]+ 267.170860 157.8
[M+HCOO]- 329.171801 180.0
[M+CH3COO]- 343.187451 198.8
[M+Na-2H]- 305.148266 170.3
[M]+ 284.17305142 175.0
[M]- 284.17414858 175.0
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.