CID 3048267

3,4-dimethylpyrrolidine ethanol

Structural Information

Molecular Formula
C8H17NO
SMILES
CC1CN(CC1C)CCO
InChI
InChI=1S/C8H17NO/c1-7-5-9(3-4-10)6-8(7)2/h7-8,10H,3-6H2,1-2H3
InChIKey
QWLXIIXHTIUNAM-UHFFFAOYSA-N
Compound name
2-(3,4-dimethylpyrrolidin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.13101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 133.1
[M+Na]+ 166.12023 140.2
[M-H]- 142.12373 133.8
[M+NH4]+ 161.16483 154.8
[M+K]+ 182.09417 138.8
[M+H-H2O]+ 126.12827 127.7
[M+HCOO]- 188.12921 153.1
[M+CH3COO]- 202.14486 173.4
[M+Na-2H]- 164.10568 135.6
[M]+ 143.13046 131.2
[M]- 143.13156 131.2
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

No patent data available for this compound.