CID 23405119

5-ethylpyrrolidin-3-olhydrochloride,mixtureofdiastereomers

Structural Information

Molecular Formula
C6H13NO
SMILES
CCC1CC(CN1)O
InChI
InChI=1S/C6H13NO/c1-2-5-3-6(8)4-7-5/h5-8H,2-4H2,1H3
InChIKey
WSIDOUOBIBIIAT-UHFFFAOYSA-N
Compound name
5-ethylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

115.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 125.4
[M+Na]+ 138.08894 132.0
[M-H]- 114.09244 124.6
[M+NH4]+ 133.13354 147.2
[M+K]+ 154.06288 130.1
[M+H-H2O]+ 98.096980 120.2
[M+HCOO]- 160.09792 144.6
[M+CH3COO]- 174.11357 163.6
[M+Na-2H]- 136.07439 129.0
[M]+ 115.09917 120.5
[M]- 115.10027 120.5
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