CID 558434

24420-11-9

Structural Information

Molecular Formula
C7H13N
SMILES
C=CCN1CCCC1
InChI
InChI=1S/C7H13N/c1-2-5-8-6-3-4-7-8/h2H,1,3-7H2
InChIKey
YZBVIYJNUQVTTQ-UHFFFAOYSA-N
Compound name
1-prop-2-enylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2695
Patents

111.1048 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.112076 124.4
[M+Na]+ 134.094018 130.8
[M-H]- 110.097524 125.9
[M+NH4]+ 129.138623 147.5
[M+K]+ 150.067958 129.7
[M+H-H2O]+ 94.102060 118.5
[M+HCOO]- 156.103001 146.3
[M+CH3COO]- 170.118651 168.1
[M+Na-2H]- 132.079466 129.3
[M]+ 111.10425142 121.2
[M]- 111.10534858 121.2
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