CID 386905

Nsc679805

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC(C)(C)N(C)C(=O)C12C3C4C1C5C2C3C45C(=O)O
InChI
InChI=1S/C15H19NO3/c1-13(2,3)16(4)11(17)14-5-8-6(14)10-7(14)9(5)15(8,10)12(18)19/h5-10H,1-4H3,(H,18,19)
InChIKey
ISMZDXJDNNRLTK-UHFFFAOYSA-N
Compound name
4-[tert-butyl(methyl)carbamoyl]cubane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 234.6
[M+Na]+ 284.12572 232.9
[M-H]- 260.12922 237.8
[M+NH4]+ 279.17032 229.0
[M+K]+ 300.09966 237.7
[M+H-H2O]+ 244.13376 221.6
[M+HCOO]- 306.13470 234.0
[M+CH3COO]- 320.15035 266.1
[M+Na-2H]- 282.11117 225.9
[M]+ 261.13595 253.7
[M]- 261.13705 253.7
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

No patent data available for this compound.