CID 199270

Pyrrolidine, 1-(4-ethoxy-2-butynyl)-

Structural Information

Molecular Formula
C10H17NO
SMILES
CCOCC#CCN1CCCC1
InChI
InChI=1S/C10H17NO/c1-2-12-10-6-5-9-11-7-3-4-8-11/h2-4,7-10H2,1H3
InChIKey
ZBAFCMGYLCWSKS-UHFFFAOYSA-N
Compound name
1-(4-ethoxybut-2-ynyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.13829 136.1
[M+Na]+ 190.12023 144.0
[M-H]- 166.12373 135.9
[M+NH4]+ 185.16483 154.7
[M+K]+ 206.09417 140.9
[M+H-H2O]+ 150.12827 123.3
[M+HCOO]- 212.12921 151.7
[M+CH3COO]- 226.14486 185.6
[M+Na-2H]- 188.10568 139.1
[M]+ 167.13046 130.1
[M]- 167.13156 130.1
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.