CID 124706196

1638772-04-9

Structural Information

Molecular Formula
C8H13NO2
SMILES
COC(=O)C12CCC(C1)(C2)N
InChI
InChI=1S/C8H13NO2/c1-11-6(10)7-2-3-8(9,4-7)5-7/h2-5,9H2,1H3
InChIKey
BVAFIRLHMVEAMF-UHFFFAOYSA-N
Compound name
methyl 4-aminobicyclo[2.1.1]hexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

155.09464 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 143.6
[M+Na]+ 178.083858 149.6
[M-H]- 154.087364 144.6
[M+NH4]+ 173.128463 168.1
[M+K]+ 194.057798 150.7
[M+H-H2O]+ 138.091900 137.4
[M+HCOO]- 200.092841 161.8
[M+CH3COO]- 214.108491 182.1
[M+Na-2H]- 176.069306 150.9
[M]+ 155.09409142 155.2
[M]- 155.09518858 155.2
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