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

117
Patents

115.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 125.0
[M+Na]+ 138.08894 131.0
[M-H]- 114.09244 125.2
[M+NH4]+ 133.13354 147.1
[M+K]+ 154.06288 130.2
[M+H-H2O]+ 98.096980 119.2
[M+HCOO]- 160.09792 145.7
[M+CH3COO]- 174.11357 165.1
[M+Na-2H]- 136.07439 129.8
[M]+ 115.09917 121.6
[M]- 115.10027 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