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]+ 156.138286 134.8
[M+Na]+ 178.120228 142.7
[M-H]- 154.123734 137.5
[M+NH4]+ 173.164833 162.8
[M+K]+ 194.094168 140.8
[M+H-H2O]+ 138.128270 131.4
[M+HCOO]- 200.129211 156.7
[M+CH3COO]- 214.144861 179.5
[M+Na-2H]- 176.105676 138.6
[M]+ 155.13046142 133.3
[M]- 155.13155858 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.