CID 124249432

2109516-33-6

Structural Information

Molecular Formula
C15H19NO4
SMILES
CC(C)(C)OC(=O)NCC12C3C4C1C5C2C3C45C(=O)O
InChI
InChI=1S/C15H19NO4/c1-13(2,3)20-12(19)16-4-14-5-8-6(14)10-7(14)9(5)15(8,10)11(17)18/h5-10H,4H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
VYJBNPBOLKYHKL-UHFFFAOYSA-N
Compound name
4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cubane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1314 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 229.4
[M+Na]+ 300.12062 223.4
[M+NH4]+ 295.16522 224.8
[M+K]+ 316.09456 221.2
[M-H]- 276.12412 224.1
[M+Na-2H]- 298.10607 220.0
[M]+ 277.13085 225.1
[M]- 277.13195 225.1
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.