CID 122551191

1620821-59-1

Structural Information

Molecular Formula
C10H11NO2
SMILES
COC(=O)C12C3C4C1C5C2C3C45N
InChI
InChI=1S/C10H11NO2/c1-13-8(12)9-2-5-3(9)7-4(9)6(2)10(5,7)11/h2-7H,11H2,1H3
InChIKey
LIOSPLWZMZDFCM-UHFFFAOYSA-N
Compound name
methyl 4-aminocubane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

177.07898 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 212.7
[M+Na]+ 200.068198 212.7
[M-H]- 176.071704 216.5
[M+NH4]+ 195.112803 208.7
[M+K]+ 216.042138 217.1
[M+H-H2O]+ 160.076240 200.5
[M+HCOO]- 222.077181 214.3
[M+CH3COO]- 236.092831 260.7
[M+Na-2H]- 198.053646 206.6
[M]+ 177.07843142 232.1
[M]- 177.07952858 232.1
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

patents stripe