CID 165753507

En300-37339142

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]+ 285.18088 169.6
[M+Na]+ 307.16282 171.5
[M-H]- 283.16632 170.8
[M+NH4]+ 302.20742 177.1
[M+K]+ 323.13676 174.1
[M+H-H2O]+ 267.17086 157.8
[M+HCOO]- 329.17180 180.0
[M+CH3COO]- 343.18745 198.8
[M+Na-2H]- 305.14827 170.3
[M]+ 284.17305 175.0
[M]- 284.17415 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.