CID 169546208

Methyl 5-amino-3-oxabicyclo[3.1.1]heptane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H13NO3
SMILES
COC(=O)C12CC(C1)(COC2)N
InChI
InChI=1S/C8H13NO3/c1-11-6(10)7-2-8(9,3-7)5-12-4-7/h2-5,9H2,1H3
InChIKey
NWYHFVXFJKTPHG-UHFFFAOYSA-N
Compound name
methyl 5-amino-3-oxabicyclo[3.1.1]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 145.3
[M+Na]+ 194.078758 150.0
[M-H]- 170.082264 144.7
[M+NH4]+ 189.123363 165.0
[M+K]+ 210.052698 153.6
[M+H-H2O]+ 154.086800 137.1
[M+HCOO]- 216.087741 158.1
[M+CH3COO]- 230.103391 185.9
[M+Na-2H]- 192.064206 157.0
[M]+ 171.08899142 156.7
[M]- 171.09008858 156.7
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.