CID 44141703

Trans-1-ethyl-4-methoxy-3-pyrrolidinamine dihydrochloride

Structural Information

Molecular Formula
C7H16N2O
SMILES
CCN1C[C@@H]([C@H](C1)OC)N
InChI
InChI=1S/C7H16N2O/c1-3-9-4-6(8)7(5-9)10-2/h6-7H,3-5,8H2,1-2H3/t6-,7-/m0/s1
InChIKey
CRPGYVVKMKSHJT-BQBZGAKWSA-N
Compound name
(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

144.12627 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.13355 132.0
[M+Na]+ 167.11549 139.0
[M-H]- 143.11899 133.7
[M+NH4]+ 162.16009 153.8
[M+K]+ 183.08943 138.3
[M+H-H2O]+ 127.12353 126.0
[M+HCOO]- 189.12447 154.3
[M+CH3COO]- 203.14012 177.2
[M+Na-2H]- 165.10094 134.8
[M]+ 144.12572 129.9
[M]- 144.12682 129.9
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