CID 155821147

2741363-04-0

Structural Information

Molecular Formula
C9H15NO2
SMILES
COC(=O)[C@]12CC[C@H]1[C@@H](CC2)N
InChI
InChI=1S/C9H15NO2/c1-12-8(11)9-4-2-6(9)7(10)3-5-9/h6-7H,2-5,10H2,1H3/t6-,7+,9-/m0/s1
InChIKey
WBAKDJCDTUDGKY-OOZYFLPDSA-N
Compound name
methyl (1S,4R,5R)-4-aminobicyclo[3.2.0]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 137.3
[M+Na]+ 192.09950 142.5
[M-H]- 168.10300 141.2
[M+NH4]+ 187.14410 155.3
[M+K]+ 208.07344 144.3
[M+H-H2O]+ 152.10754 128.4
[M+HCOO]- 214.10848 157.5
[M+CH3COO]- 228.12413 183.4
[M+Na-2H]- 190.08495 140.8
[M]+ 169.10973 143.8
[M]- 169.11083 143.8
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.