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

30
Patents

155.09464 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 143.6
[M+Na]+ 178.08386 149.6
[M-H]- 154.08736 144.6
[M+NH4]+ 173.12846 168.1
[M+K]+ 194.05780 150.7
[M+H-H2O]+ 138.09190 137.4
[M+HCOO]- 200.09284 161.8
[M+CH3COO]- 214.10849 182.1
[M+Na-2H]- 176.06931 150.9
[M]+ 155.09409 155.2
[M]- 155.09519 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