CID 90905621

2703775-01-1

Structural Information

Molecular Formula
C8H17NO
SMILES
CCC1(CC(CN1)O)CC
InChI
InChI=1S/C8H17NO/c1-3-8(4-2)5-7(10)6-9-8/h7,9-10H,3-6H2,1-2H3
InChIKey
IZKUPZDVKOWNCI-UHFFFAOYSA-N
Compound name
5,5-diethylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

143.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 133.3
[M+Na]+ 166.120228 139.9
[M-H]- 142.123734 132.6
[M+NH4]+ 161.164833 156.0
[M+K]+ 182.094168 137.8
[M+H-H2O]+ 126.128270 128.7
[M+HCOO]- 188.129211 151.9
[M+CH3COO]- 202.144861 169.2
[M+Na-2H]- 164.105676 137.2
[M]+ 143.13046142 129.4
[M]- 143.13155858 129.4
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