CID 369203

Nsc640909

Structural Information

Molecular Formula
C17H23NO3
SMILES
CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C(=O)OC
InChI
InChI=1S/C17H23NO3/c1-6(2)18(7(3)4)14(19)16-8-11-9(16)13-10(16)12(8)17(11,13)15(20)21-5/h6-13H,1-5H3
InChIKey
KFBVQERYTLADNP-UHFFFAOYSA-N
Compound name
methyl 4-[di(propan-2-yl)carbamoyl]cubane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1678 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.175076 239.5
[M+Na]+ 312.157018 237.1
[M-H]- 288.160524 242.8
[M+NH4]+ 307.201623 233.5
[M+K]+ 328.130958 242.2
[M+H-H2O]+ 272.165060 225.9
[M+HCOO]- 334.166001 238.8
[M+CH3COO]- 348.181651 268.7
[M+Na-2H]- 310.142466 229.3
[M]+ 289.16725142 258.7
[M]- 289.16834858 258.7
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.