CID 146082258

Rac-(1r,2r,4r,5s)-5-methoxy-5-methylbicyclo[2.2.1]heptan-2-amine

Structural Information

Molecular Formula
C9H17NO
SMILES
C[C@@]1(C[C@H]2C[C@@H]1C[C@H]2N)OC
InChI
InChI=1S/C9H17NO/c1-9(11-2)5-6-3-7(9)4-8(6)10/h6-8H,3-5,10H2,1-2H3/t6-,7-,8-,9+/m1/s1
InChIKey
PDVSAPNVOBFQMR-BGZDPUMWSA-N
Compound name
(1R,2R,4R,5S)-5-methoxy-5-methylbicyclo[2.2.1]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 134.8
[M+Na]+ 178.12023 142.7
[M-H]- 154.12373 137.5
[M+NH4]+ 173.16483 162.8
[M+K]+ 194.09417 140.8
[M+H-H2O]+ 138.12827 131.4
[M+HCOO]- 200.12921 156.7
[M+CH3COO]- 214.14486 179.5
[M+Na-2H]- 176.10568 138.6
[M]+ 155.13046 133.3
[M]- 155.13156 133.3
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.