CID 81782

1-ethylpyrrolidine

Structural Information

Molecular Formula
C6H13N
SMILES
CCN1CCCC1
InChI
InChI=1S/C6H13N/c1-2-7-5-3-4-6-7/h2-6H2,1H3
InChIKey
ONQBOTKLCMXPOF-UHFFFAOYSA-N
Compound name
1-ethylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

14280
Patents

99.1048 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.112076 121.0
[M+Na]+ 122.094018 127.5
[M-H]- 98.097524 122.7
[M+NH4]+ 117.138623 144.6
[M+K]+ 138.067958 127.3
[M+H-H2O]+ 82.102060 115.2
[M+HCOO]- 144.103001 143.0
[M+CH3COO]- 158.118651 166.0
[M+Na-2H]- 120.079466 126.4
[M]+ 99.10425142 118.1
[M]- 99.10534858 118.1
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