CID 98203

1-ethyl-3-pyrrolidinol

Structural Information

Molecular Formula
C6H13NO
SMILES
CCN1CCC(C1)O
InChI
InChI=1S/C6H13NO/c1-2-7-4-3-6(8)5-7/h6,8H,2-5H2,1H3
InChIKey
IDBNECMSCRAUNU-UHFFFAOYSA-N
Compound name
1-ethylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

582
Patents

115.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 124.5
[M+Na]+ 138.088938 131.5
[M-H]- 114.092444 125.1
[M+NH4]+ 133.133543 147.0
[M+K]+ 154.062878 130.6
[M+H-H2O]+ 98.096980 119.0
[M+HCOO]- 160.097921 145.2
[M+CH3COO]- 174.113571 166.2
[M+Na-2H]- 136.074386 128.7
[M]+ 115.09917142 121.5
[M]- 115.10026858 121.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe