CID 145867045

Rac-(3r,4r)-3,4-dimethoxycyclopentan-1-amine

Structural Information

Molecular Formula
C7H15NO2
SMILES
CO[C@@H]1CC(C[C@H]1OC)N
InChI
InChI=1S/C7H15NO2/c1-9-6-3-5(8)4-7(6)10-2/h5-7H,3-4,8H2,1-2H3/t6-,7-/m1/s1
InChIKey
IHOCIBAQIMUAGZ-RNFRBKRXSA-N
Compound name
trans-(3R,4R)-3,4-dimethoxycyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.11028 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 130.5
[M+Na]+ 168.099498 137.5
[M-H]- 144.103004 133.6
[M+NH4]+ 163.144103 153.5
[M+K]+ 184.073438 137.2
[M+H-H2O]+ 128.107540 125.4
[M+HCOO]- 190.108481 154.3
[M+CH3COO]- 204.124131 176.6
[M+Na-2H]- 166.084946 133.5
[M]+ 145.10973142 129.3
[M]- 145.11082858 129.3
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.