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]+ 290.17508 239.5
[M+Na]+ 312.15702 237.1
[M-H]- 288.16052 242.8
[M+NH4]+ 307.20162 233.5
[M+K]+ 328.13096 242.2
[M+H-H2O]+ 272.16506 225.9
[M+HCOO]- 334.16600 238.8
[M+CH3COO]- 348.18165 268.7
[M+Na-2H]- 310.14247 229.3
[M]+ 289.16725 258.7
[M]- 289.16835 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.