CID 11116030

(3s)-3-ethoxypyrrolidine

Structural Information

Molecular Formula
C6H13NO
SMILES
CCO[C@H]1CCNC1
InChI
InChI=1S/C6H13NO/c1-2-8-6-3-4-7-5-6/h6-7H,2-5H2,1H3/t6-/m0/s1
InChIKey
KEBOYHJEUFJZPE-LURJTMIESA-N
Compound name
(3S)-3-ethoxypyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

115.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 125.0
[M+Na]+ 138.088938 131.0
[M-H]- 114.092444 125.2
[M+NH4]+ 133.133543 147.1
[M+K]+ 154.062878 130.2
[M+H-H2O]+ 98.096980 119.2
[M+HCOO]- 160.097921 145.7
[M+CH3COO]- 174.113571 165.1
[M+Na-2H]- 136.074386 129.8
[M]+ 115.09917142 121.6
[M]- 115.10026858 121.6
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