CID 122361194

Methyl 3-aminocubane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H11NO2
SMILES
COC(=O)C12C3C4C1C5(C4C3C25)N
InChI
InChI=1S/C10H11NO2/c1-13-8(12)9-4-2-5-3(4)7(9)10(5,11)6(2)9/h2-7H,11H2,1H3
InChIKey
HVCJUTNLXOJYCO-UHFFFAOYSA-N
Compound name
methyl 3-aminocubane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.07898 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 215.1
[M+Na]+ 200.06820 209.8
[M+NH4]+ 195.11280 211.2
[M+K]+ 216.04214 207.8
[M-H]- 176.07170 210.5
[M+Na-2H]- 198.05365 207.0
[M]+ 177.07843 211.1
[M]- 177.07953 211.1
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.