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 234.9
[M+Na]+ 300.12062 232.9
[M-H]- 276.12412 237.7
[M+NH4]+ 295.16522 228.8
[M+K]+ 316.09456 237.7
[M+H-H2O]+ 260.12866 221.8
[M+HCOO]- 322.12960 234.2
[M+CH3COO]- 336.14525 265.6
[M+Na-2H]- 298.10607 226.5
[M]+ 277.13085 254.1
[M]- 277.13195 254.1
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.