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

13
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 212.7
[M+Na]+ 200.06820 212.7
[M-H]- 176.07170 216.5
[M+NH4]+ 195.11280 208.7
[M+K]+ 216.04214 217.1
[M+H-H2O]+ 160.07624 200.5
[M+HCOO]- 222.07718 214.3
[M+CH3COO]- 236.09283 260.7
[M+Na-2H]- 198.05365 206.6
[M]+ 177.07843 232.1
[M]- 177.07953 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