CID 58339440

Methyl (1s,2r,3s,4r)-3-aminobicyclo[2.2.1]heptane-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H15NO2
SMILES
COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1N
InChI
InChI=1S/C9H15NO2/c1-12-9(11)7-5-2-3-6(4-5)8(7)10/h5-8H,2-4,10H2,1H3/t5-,6+,7+,8-/m1/s1
InChIKey
QIDKPXAOMOVSBB-VGRMVHKJSA-N
Compound name
methyl (1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

169.11028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 138.4
[M+Na]+ 192.09950 145.2
[M-H]- 168.10300 140.9
[M+NH4]+ 187.14410 163.6
[M+K]+ 208.07344 143.9
[M+H-H2O]+ 152.10754 134.3
[M+HCOO]- 214.10848 159.6
[M+CH3COO]- 228.12413 181.3
[M+Na-2H]- 190.08495 139.9
[M]+ 169.10973 136.6
[M]- 169.11083 136.6
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